Structures by: Bhattacharya S.

Total: 721

2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine,

C15H18O6,C10H8N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2011) 13, 23 6941

a=11.4001(11)Å   b=17.4597(16)Å   c=11.6727(9)Å

α=90.00°   β=101.406(9)°   γ=90.00°

COPPERR-LEAD THIOLATE

C96H80Cu2P4PbS4,C6H6S

Gupta, GeetikaBhattacharya, Subrato

RSC Adv. (2015)

a=12.8133(7)Å   b=13.2814(7)Å   c=30.5065(15)Å

α=100.487(4)°   β=90.174(4)°   γ=118.261(5)°

C108H90Ag2P4Pb2S6,C2H3N

C108H90Ag2P4Pb2S6,C2H3N

Gupta, GeetikaBhattacharya, Subrato

RSC Adv. (2015)

a=24.3436(10)Å   b=22.8897(8)Å   c=17.9021(8)Å

α=90.00°   β=89.899(4)°   γ=90.00°

C30H34CuN4O4S2

C30H34CuN4O4S2

Gupta, GeetikaBhattacharya, Subrato

RSC Adv. (2015)

a=28.1840(15)Å   b=10.4657(4)Å   c=10.5136(4)Å

α=90.00°   β=90.00°   γ=90.00°

C32H24Cl2O2P2Ru,1[CH2Cl2]

C32H24Cl2O2P2Ru,1[CH2Cl2]

Mukherjee, AparajitaHrovat, David A.Richmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10264-10272

a=9.0132(2)Å   b=11.0476(3)Å   c=18.2117(5)Å

α=75.6680(10)°   β=76.9770(10)°   γ=68.3980(10)°

C76H80Cu2O12P4S

C76H80Cu2O12P4S

Sareen, NehaSingh, Anoop S.TIWARI, Vinod K KKant, RajniBhattacharya, Subrato

Dalton Trans. (2017)

a=13.251(2)Å   b=13.8014(17)Å   c=20.973(3)Å

α=91.438(10)°   β=94.858(12)°   γ=103.183(12)°

C54H90Cl2O8S12Sn6Ti6

C54H90Cl2O8S12Sn6Ti6

Singh, NeetuBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2011) 40, 12 2707-2710

a=19.115(3)Å   b=19.488(3)Å   c=21.356(2)Å

α=90.00°   β=90.00°   γ=90.00°

TITANIUM CLUSTER

C108H180Cl12O16S20Sn12Ti12

Singh, NeetuBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2011) 40, 12 2707-2710

a=21.687(5)Å   b=20.079(5)Å   c=22.800(5)Å

α=90.000(5)°   β=114.560(5)°   γ=90.000(5)°

C49H39ClN3O3P2Rh

C49H39ClN3O3P2Rh

Dutta, SwatiPeng, Shie-MingBhattacharya, Samaresh

Journal of the Chemical Society, Dalton Transactions (2000) 24 4623

a=11.9111(2)Å   b=16.9049(3)Å   c=21.4067(3)Å

α=90.00°   β=96.744(1)°   γ=90.00°

C49H39BrClN2OOsP2

C49H39BrClN2OOsP2

Majumder, KanchanaPeng, Shie-MingBhattacharya, Samaresh

Journal of the Chemical Society, Dalton Transactions (2001) 3 284

a=12.2703(2)Å   b=19.1253(1)Å   c=19.2075(3)Å

α=90.00°   β=107.742(1)°   γ=90.00°

C38.5H31.5Cl2N3O2OsP

C38.5H31.5Cl2N3O2OsP

Majumder, KanchanaPeng, Shie-MingBhattacharya, Samaresh

Journal of the Chemical Society, Dalton Transactions (2001) 3 284

a=40.4327(2)Å   b=10.9195(2)Å   c=17.5688(3)Å

α=90.00°   β=112.731(1)°   γ=90.00°

C36H26Cl2N8Rh2

C36H26Cl2N8Rh2

Majumder, ParamitaBaksi, SuparnaHalder, SarmisthaTadesse, HaregewineBlake, Alexander J.Drew, Michael G. B.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2011) 40, 20 5423-5425

a=15.3407(15)Å   b=13.3922(13)Å   c=19.0850(19)Å

α=90.00°   β=103.245(2)°   γ=90.00°

C25H18Cl2N5O0Rh

C25H18Cl2N5O0Rh

Majumder, ParamitaBaksi, SuparnaHalder, SarmisthaTadesse, HaregewineBlake, Alexander J.Drew, Michael G. B.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2011) 40, 20 5423-5425

a=11.2704(2)Å   b=13.3655(2)Å   c=15.7056(2)Å

α=90.00°   β=90.1000(10)°   γ=90.00°

C20H16Cl2N5Rh

C20H16Cl2N5Rh

Majumder, ParamitaBaksi, SuparnaHalder, SarmisthaTadesse, HaregewineBlake, Alexander J.Drew, Michael G. B.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2011) 40, 20 5423-5425

a=8.6950(9)Å   b=9.7051(11)Å   c=12.1143(15)Å

α=78.088(10)°   β=84.530(9)°   γ=83.077(9)°

C18H13Cl2N4ORh

C18H13Cl2N4ORh

Majumder, ParamitaBaksi, SuparnaHalder, SarmisthaTadesse, HaregewineBlake, Alexander J.Drew, Michael G. B.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2011) 40, 20 5423-5425

a=19.488(5)Å   b=12.271(2)Å   c=7.9630(16)Å

α=90.00°   β=106.575(16)°   γ=90.00°

C25H20Cl2N5ORh

C25H20Cl2N5ORh

Majumder, ParamitaBaksi, SuparnaHalder, SarmisthaTadesse, HaregewineBlake, Alexander J.Drew, Michael G. B.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2011) 40, 20 5423-5425

a=12.1868(11)Å   b=12.0880(5)Å   c=15.7543(6)Å

α=90.00°   β=92.597(6)°   γ=90.00°

C46H37CuO2P2S4

C46H37CuO2P2S4

Singh, SuryabhanChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2012) 41, 2 424-431

a=13.1000(3)Å   b=17.9804(4)Å   c=18.1855(3)Å

α=90.00°   β=90.00°   γ=90.00°

C22H14CuN2O5S2

C22H14CuN2O5S2

Singh, SuryabhanChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2012) 41, 2 424-431

a=10.5195(10)Å   b=13.8376(12)Å   c=14.5830(12)Å

α=90.00°   β=92.567(8)°   γ=90.00°

C17H23Cl3CuN2O4S2

C17H23Cl3CuN2O4S2

Singh, SuryabhanChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2012) 41, 2 424-431

a=17.575(4)Å   b=17.691(3)Å   c=15.398(3)Å

α=90.00°   β=90.00°   γ=90.00°

C41H0CuIn0OP2S2

C41H0CuIn0OP2S2

Singh, SuryabhanChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2012) 41, 2 424-431

a=10.2597(15)Å   b=12.9616(6)Å   c=14.459(2)Å

α=86.108(7)°   β=75.151(14)°   γ=74.714(7)°

C14H36Cu2N4O6,2(NO3),2(C2H3N)

C14H36Cu2N4O6,2(NO3),2(C2H3N)

Sareen, NehaSingh, SuryabhanBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2014) 43, 12 4635-4638

a=7.9414(6)Å   b=20.8386(13)Å   c=9.5765(7)Å

α=90.00°   β=99.996(6)°   γ=90.00°

C10H20CuN2O4S,0.5(C6H18N2),NO3,H2O

C10H20CuN2O4S,0.5(C6H18N2),NO3,H2O

Sareen, NehaSingh, SuryabhanBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2014) 43, 12 4635-4638

a=8.6003(4)Å   b=31.6173(18)Å   c=7.5682(3)Å

α=90.00°   β=99.671(4)°   γ=90.00°

Bis(triphenylphosphine)silver bis(mu-thiobenzoato)lead thiobenzoate

C57H45AgO3P2PbS3

Chaturvedi, JyotsnaBhattacharya, SubratoPrasad, Rajendra

Dalton transactions (Cambridge, England : 2003) (2010) 39, 37 8725-8732

a=12.753(5)Å   b=17.287(6)Å   c=23.608(9)Å

α=90.00°   β=99.079(8)°   γ=90.00°

Bis(triphenylphosphine)copper bis(muthiobenzoato)lead thiobenzoate

C60H51CuO4P2PbS3

Chaturvedi, JyotsnaBhattacharya, SubratoPrasad, Rajendra

Dalton transactions (Cambridge, England : 2003) (2010) 39, 37 8725-8732

a=16.0477(15)Å   b=13.0335(12)Å   c=26.548(3)Å

α=90.00°   β=107.065(2)°   γ=90.00°

2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'- bipyridine

C12H12O6,C12H10O6,C10H10N2,C10H8N2

Saha, Binoy K.Bhattacharya, Suman

CrystEngComm (2010) 12, 8 2369

a=8.7366(10)Å   b=14.4942(16)Å   c=16.4072(18)Å

α=104.605(2)°   β=94.579(2)°   γ=101.574(2)°

MBDA-Form-I

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=8.2122(7)Å   b=9.0548(5)Å   c=11.4228(7)Å

α=93.672(5)°   β=110.255(7)°   γ=108.406(6)°

MBDA-Form-I

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=8.2145(7)Å   b=9.0601(6)Å   c=11.4225(8)Å

α=93.690(6)°   β=110.215(7)°   γ=108.361(7)°

MBDA-Form-I

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=8.2384(8)Å   b=9.0950(6)Å   c=11.4600(8)Å

α=93.700(6)°   β=110.161(8)°   γ=108.267(7)°

MBDA-Form-I

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=8.2565(8)Å   b=9.1147(6)Å   c=11.4695(8)Å

α=93.722(5)°   β=110.153(8)°   γ=108.221(7)°

MBDA-Form-I

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=8.2504(9)Å   b=9.1159(7)Å   c=11.4622(9)Å

α=93.800(7)°   β=110.087(9)°   γ=108.151(9)°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.9037(14)Å   b=8.0121(8)Å   c=14.0696(9)Å

α=90.00°   β=133.440(4)°   γ=90.00°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.9670(12)Å   b=7.9756(6)Å   c=14.0251(8)Å

α=90.00°   β=133.571(4)°   γ=90.00°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.6512(18)Å   b=8.1468(5)Å   c=14.2338(10)Å

α=90.00°   β=132.931(6)°   γ=90.00°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.8536(16)Å   b=8.0700(6)Å   c=14.1329(11)Å

α=90.00°   β=133.271(5)°   γ=90.00°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.5602(17)Å   b=8.1816(6)Å   c=14.2820(10)Å

α=90.00°   β=132.800(5)°   γ=90.00°

MBDA-Form-II

C17H22N2

Bhattacharya, SumanSaha, Binoy K.

CrystEngComm (2014) 16, 12 2340

a=17.7463(14)Å   b=8.0930(7)Å   c=14.1825(9)Å

α=90.00°   β=133.117(4)°   γ=90.00°

C48H39CuN2OP2S3

C48H39CuN2OP2S3

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=13.2247(4)Å   b=19.1038(6)Å   c=18.0282(6)Å

α=90.00°   β=108.708(4)°   γ=90.00°

C46H37CuO3P2S3

C46H37CuO3P2S3

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=13.094(5)Å   b=17.908(5)Å   c=18.120(5)Å

α=90.000(5)°   β=90.000(5)°   γ=90.000(5)°

C48H39CuO2P2S3

C48H39CuO2P2S3

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=13.1995(11)Å   b=18.078(3)Å   c=18.115(3)Å

α=90.00°   β=90.00°   γ=90.00°

C48H40Cu4N4O4S12

C48H40Cu4N4O4S12

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=8.553(5)Å   b=11.605(5)Å   c=14.138(5)Å

α=82.590(5)°   β=83.221(5)°   γ=86.617(5)°

C96H83Ag2NO2P4S4

C96H83Ag2NO2P4S4

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=10.3842(5)Å   b=18.0770(10)Å   c=23.1444(11)Å

α=90.00°   β=101.813(5)°   γ=90.00°

C215H181Ag4N8O4P8S8

C215H181Ag4N8O4P8S8

Singh, SuryabhanBhattacharya, Subrato

RSC Adv. (2014)

a=18.1036(6)Å   b=19.7740(8)Å   c=27.1081(9)Å

α=89.880(3)°   β=88.550(3)°   γ=79.127(3)°

C40H48Cu2N6O18U

C40H48Cu2N6O18U

Bhattacharya, SagarikaJana, ArpitaMohanta, Sasankasekhar

CrystEngComm (2013) 15, 47 10374

a=9.5341(7)Å   b=9.9276(7)Å   c=11.9991(9)Å

α=88.762(3)°   β=77.544(3)°   γ=85.953(3)°

C23H27CuN5O12U

C23H27CuN5O12U

Bhattacharya, SagarikaJana, ArpitaMohanta, Sasankasekhar

CrystEngComm (2013) 15, 47 10374

a=9.1507(8)Å   b=15.0173(12)Å   c=10.8775(9)Å

α=90.00°   β=102.155(3)°   γ=90.00°

C21H26CuN2O5

C21H26CuN2O5

Bhattacharya, SagarikaJana, ArpitaMohanta, Sasankasekhar

CrystEngComm (2013) 15, 47 10374

a=12.4930(17)Å   b=10.3764(14)Å   c=18.9139(18)Å

α=90.00°   β=121.136(6)°   γ=90.00°

C18H19CuN5O18U2

C18H19CuN5O18U2

Bhattacharya, SagarikaJana, ArpitaMohanta, Sasankasekhar

CrystEngComm (2013) 15, 47 10374

a=14.6991(17)Å   b=16.299(2)Å   c=23.209(3)Å

α=90.00°   β=96.525(5)°   γ=90.00°

C48H51Cu2N9O19U

C48H51Cu2N9O19U

Bhattacharya, SagarikaJana, ArpitaMohanta, Sasankasekhar

CrystEngComm (2013) 15, 47 10374

a=14.1950(15)Å   b=14.5483(15)Å   c=15.8562(16)Å

α=64.927(4)°   β=74.116(4)°   γ=63.150(4)°

C35H25NOPPd

C35H25NOPPd

Dutta, JayitaRichmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2015) 44, 30 13615-13632

a=14.3819(11)Å   b=11.8875(9)Å   c=17.6698(13)Å

α=90.00°   β=112.090(4)°   γ=90.00°

C35H27ClNOPPd

C35H27ClNOPPd

Dutta, JayitaRichmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2015) 44, 30 13615-13632

a=15.1395(5)Å   b=11.7820(4)Å   c=17.5381(6)Å

α=90.00°   β=115.068(2)°   γ=90.00°

C39H28NOPPd

C39H28NOPPd

Dutta, JayitaRichmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2015) 44, 30 13615-13632

a=8.9539(3)Å   b=14.4207(4)Å   c=23.0345(7)Å

α=90.00°   β=91.811(2)°   γ=90.00°

C62H50N2O4P2Pd2

C62H50N2O4P2Pd2

Dutta, JayitaRichmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2015) 44, 30 13615-13632

a=8.6555(2)Å   b=12.6136(3)Å   c=13.6905(3)Å

α=104.8440(10)°   β=107.3350(10)°   γ=105.7500(10)°

C24H24N2O2Pd

C24H24N2O2Pd

Dutta, JayitaRichmond, Michael G.Bhattacharya, Samaresh

Dalton transactions (Cambridge, England : 2003) (2015) 44, 30 13615-13632

a=14.3458(4)Å   b=15.7571(5)Å   c=26.8926(8)Å

α=90.00°   β=94.016(2)°   γ=90.00°

C106H93Cu5Hg2P4S9

C106H93Cu5Hg2P4S9

Gupta, GeetikaChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2015) 44, 19 8932-8937

a=24.3852(6)Å   b=16.4533(4)Å   c=26.4195(9)Å

α=90.00°   β=105.248(3)°   γ=90.00°

C97.4H81.4Ag3Cl0.6Hg2P3S7

C97.4H81.4Ag3Cl0.6Hg2P3S7

Gupta, GeetikaChaturvedi, JyotsnaBhattacharya, Subrato

Dalton transactions (Cambridge, England : 2003) (2015) 44, 19 8932-8937

a=17.0142(14)Å   b=17.3392(15)Å   c=20.1081(14)Å

α=68.901(7)°   β=71.772(7)°   γ=61.000(9)°

C38H54N4Ni3O10

C38H54N4Ni3O10

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=9.450(3)Å   b=18.825(6)Å   c=12.001(4)Å

α=90.00°   β=106.273(8)°   γ=90.00°

C40H56N6Ni3O10

C40H56N6Ni3O10

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=9.2422(16)Å   b=11.427(2)Å   c=11.940(2)Å

α=71.389(7)°   β=86.472(7)°   γ=68.480(6)°

C56H57N5Ni3O10

C56H57N5Ni3O10

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=13.709(3)Å   b=14.024(3)Å   c=16.630(4)Å

α=111.754(3)°   β=95.086(4)°   γ=111.703(3)°

C40H58N4Ni3O10

C40H58N4Ni3O10

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=9.721(2)Å   b=18.581(4)Å   c=12.238(3)Å

α=90.00°   β=104.402(8)°   γ=90.00°

C56H58N4Ni3O10,CH2Cl2

C56H58N4Ni3O10,CH2Cl2

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=21.737(17)Å   b=10.824(8)Å   c=23.427(18)Å

α=90°   β=103.020(9)°   γ=90°

C38H54N4Ni3O12

C38H54N4Ni3O12

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=9.5838(3)Å   b=18.8156(7)Å   c=11.9457(4)Å

α=90.00°   β=106.1170(10)°   γ=90.00°

C54H54N4Ni3O12,3(CH2Cl2)

C54H54N4Ni3O12,3(CH2Cl2)

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=10.9987(16)Å   b=19.977(3)Å   c=15.049(2)Å

α=90°   β=109.934(4)°   γ=90°

C58H60Cl4N6Ni3O14

C58H60Cl4N6Ni3O14

Bhattacharya, SagarikaSasmal, SujitCarrella, LucaRentschler, EvaMohanta, Sasankasekhar

Dalton transactions (Cambridge, England : 2003) (2014) 43, 31 12065-12076

a=11.2050(18)Å   b=12.005(2)Å   c=13.346(2)Å

α=107.023(5)°   β=103.618(6)°   γ=104.109(5)°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.63220Å   b=24.67230Å   c=17.21010Å

α=90°   β=93.0760°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.82300Å   b=27.63680Å   c=9.81060Å

α=90°   β=112.5420°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.56940Å   b=15.65760Å   c=27.82230Å

α=90°   β=90.4230°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.65230Å   b=12.32380Å   c=17.69700Å

α=78.4220°   β=88.0490°   γ=88.8470°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.82000Å   b=9.72850Å   c=14.28520Å

α=78.4470°   β=80.4540°   γ=67.4560°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.86720Å   b=9.26110Å   c=16.14650Å

α=85.9000°   β=80.3660°   γ=77.8150°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.04390Å   b=12.08700Å   c=12.15390Å

α=61.2560°   β=88.4070°   γ=75.9430°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.89360Å   b=34.84550Å   c=7.57860Å

α=90°   β=106.0490°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.62400Å   b=29.71420Å   c=14.49510Å

α=90°   β=92.5910°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.25000Å   b=10.20820Å   c=14.66770Å

α=83.6220°   β=76.1990°   γ=73.8000°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=17.61590Å   b=4.63220Å   c=25.06180Å

α=90°   β=97.8320°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.20920Å   b=8.21010Å   c=18.66430Å

α=87.4140°   β=84.7600°   γ=65.0430°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.25430Å   b=4.79740Å   c=33.90040Å

α=90°   β=95.5990°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.78250Å   b=12.25460Å   c=33.64340Å

α=90°   β=90°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.64470Å   b=10.70670Å   c=11.71540Å

α=87.4790°   β=83.4930°   γ=68.3760°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.48330Å   b=10.48670Å   c=13.67510Å

α=78.0920°   β=83.3590°   γ=70.7920°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.60330Å   b=7.80960Å   c=18.60430Å

α=81.8980°   β=84.2360°   γ=68.3000°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.90230Å   b=10.90870Å   c=16.54040Å

α=90°   β=121.4760°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.80960Å   b=12.14940Å   c=12.16870Å

α=63.4760°   β=86.7840°   γ=78.6940°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.63300Å   b=10.72270Å   c=10.98920Å

α=91.8750°   β=99.6550°   γ=90.7700°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.94410Å   b=8.73160Å   c=17.98040Å

α=89.4770°   β=82.9770°   γ=68.1410°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.59490Å   b=9.78610Å   c=10.60880Å

α=90°   β=92.5880°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.98490Å   b=9.14300Å   c=16.00910Å

α=86.3950°   β=83.1640°   γ=78.7810°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=14.64800Å   b=9.37790Å   c=17.03990Å

α=90°   β=120.2790°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.71050Å   b=27.84830Å   c=9.94800Å

α=90°   β=112.9390°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.19250Å   b=10.91190Å   c=12.90490Å

α=109.8010°   β=105.3870°   γ=96.7810°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.69770Å   b=15.72660Å   c=26.78730Å

α=90°   β=91.4260°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.88240Å   b=8.02730Å   c=17.86560Å

α=82.9840°   β=81.3480°   γ=65.2580°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.68880Å   b=9.86800Å   c=14.52810Å

α=94.1160°   β=101.8840°   γ=112.6300°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.78140Å   b=12.35100Å   c=17.43630Å

α=77.8780°   β=84.5060°   γ=88.8330°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.80900Å   b=12.25110Å   c=21.57920Å

α=90°   β=98.9600°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.82130Å   b=9.47260Å   c=18.02700Å

α=90°   β=109.8330°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.54070Å   b=7.74420Å   c=19.17300Å

α=83.6990°   β=82.8900°   γ=65.5490°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.95760Å   b=9.75770Å   c=21.29840Å

α=76.8590°   β=85.5940°   γ=82.4380°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.31380Å   b=9.33660Å   c=14.22430Å

α=71.1730°   β=84.7110°   γ=60.8550°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=8.79570Å   b=9.71710Å   c=12.36080Å

α=91.1570°   β=106.9940°   γ=94.8830°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=4.70560Å   b=24.62410Å   c=17.12650Å

α=90°   β=95.3260°   γ=90°

C21H17Cl2NO2

C21H17Cl2NO2

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, SaswataBoese, A. DanielBrandenburg, Jan GeritBygrave, Peter J.Bylsma, RitaCampbell, Josh E.Car, RobertoCase, David H.Chadha, RenuCole, Jason C.Cosburn, KatherineCuppen, Herma M.Curtis, FarrenDay, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexandervan Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, LaszloGatsiou, Christina-AnnaGee, Thomas S.de Gelder, RenéGhiringhelli, Luca M.Goto, HitoshiGrimme, StefanGuo, RuiHofmann, Detlef W. M.Hoja, JohannesHylton, Rebecca K.Iuzzolino, LucaJankiewicz, Wojciechde Jong, Daniël T.Kendrick, Johnde Klerk, Niek J. J.Ko, Hsin-YuKuleshova, Liudmila N.Li, XiayueLohani, SanjayaLeusen, Frank J. J.Lund, Albert M.Lv, JianMa, YanmingMarom, NoaMasunov, Artëm E.McCabe, PatrickMcMahon, David P.Meekes, HugoMetz, Michael P.Misquitta, Alston J.Mohamed, SharmarkeMonserrat, BartomeuNeeds, Richard J.Neumann, Marcus A.Nyman, JonasObata, ShigeakiOberhofer, HaraldOganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, RafalPrice, Louise S.Price, Sarah L.Pulido, AngelesRead, Murray G.Reuter, KarstenSchneider, EliaSchober, ChristophShields, Gregory P.Singh, PawanpreetSugden, Isaac J.Szalewicz, KrzysztofTaylor, Christopher R.Tkatchenko, AlexandreTuckerman, Mark E.Vacarro, FrancescaVasileiadis, ManolisVazquez-Mayagoitia, AlvaroVogt, LeslieWang, YanchaoWatson, Rona E.de Wijs, Gilles A.Yang, JackZhu, QiangGroom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.99840Å   b=11.11480Å   c=11.57030Å

α=85.4390°   β=87.1330°   γ=84.0870°