Structures by: Price S. L.

Total: 502

C5H10

C5H10

Torrisi, AntonioLeech, Charlotte K.Shankland, KennethDavid, William I. F.Ibberson, Richard M.Benet-Buchholz, JordiBoese, RolandLeslie, MauriceCatlow, C Richard APrice, Sarah L.

The journal of physical chemistry. B (2008) 112, 12 3746-3758

a=9.578(5)Å   b=5.328(2)Å   c=10.018(2)Å

α=90.00°   β=113.12(3)°   γ=90.00°

1,3,5-trihydroxybenzene dihydrate

C6H6O3,2(H2O)

Braun, Doris E.Tocher, Derek A.Price, Sarah L.Griesser, Ulrich J.

The journal of physical chemistry. B (2012) 116, 13 3961-3972

a=6.6209(17)Å   b=13.5606(25)Å   c=8.0462(15)Å

α=90°   β=90°   γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.95

C22H25N3O3,H3.90O1.95

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=26.663(7)Å   b=9.634(2)Å   c=20.863(9)Å

α=90°   β=128.322(6)°   γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Dihydrate

C22H25N3O3,2(H2O)

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=13.212(2)Å   b=9.1505(15)Å   c=18.160(3)Å

α=90°   β=105.195(11)°   γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.73

C22H25N3O3,H3.46O1.73

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=26.498(3)Å   b=9.6469(8)Å   c=20.342(3)Å

α=90°   β=128.706(4)°   γ=90°

5-Ethyluracil

C6H8N2O2

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=3.9193(18)Å   b=5.754(3)Å   c=14.366(7)Å

α=100.027(7)°   β=96.109(7)°   γ=92.374(8)°

5-Cyanouracil

C5H3N3O2

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=9.0098(18)Å   b=6.6035(13)Å   c=9.1805(18)Å

α=90.00°   β=98.124(3)°   γ=90.00°

5-Bromouracil

C4H3BrN2O2

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=8.5680(11)Å   b=6.8823(9)Å   c=9.5715(12)Å

α=90.00°   β=103.440(2)°   γ=90.00°

5-Chlorouracil

C4H3ClN2O2

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=8.4393(10)Å   b=6.8412(8)Å   c=9.3679(12)Å

α=90.00°   β=104.201(2)°   γ=90.00°

C4 H3 F N2 O2, C7 H5 N

C11H8FN3O2

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=7.0460(7)Å   b=24.035(2)Å   c=6.8640(7)Å

α=90.00°   β=116.554(2)°   γ=90.00°

C4 H3 F N2 O2 , C H3 N O

C5H6FN3O3

Barnett, Sarah A.Hulme, Ashley T.Issa, NizarLewis, Thomas C.Price, Louise S.Tocher, Derek A.Price, Sarah L.

New Journal of Chemistry (2008) 32, 10 1761

a=6.827(4)Å   b=6.111(3)Å   c=8.424(4)Å

α=90.00°   β=90.313(8)°   γ=90.00°

Succinic acid

C4H6O4

Lucaioli, PaoloNauha, ElisaGimondi, IlariaPrice, Louise S.Guo, RuiIuzzolino, LucaSingh, IshwarSalvalaglio, MatteoPrice, Sarah L.Blagden, Nicholas

CrystEngComm (2018) 20, 28 3971

a=5.7015(5)Å   b=8.4154(8)Å   c=10.3538(8)Å

α=90°   β=90.374(3)°   γ=90°

Mono-methyl hydrogen succinate

C5H8O4

Lucaioli, PaoloNauha, ElisaGimondi, IlariaPrice, Louise S.Guo, RuiIuzzolino, LucaSingh, IshwarSalvalaglio, MatteoPrice, Sarah L.Blagden, Nicholas

CrystEngComm (2018) 20, 28 3971

a=11.3126(5)Å   b=5.5869(3)Å   c=9.6891(4)Å

α=90°   β=92.866(2)°   γ=90°

Beta Estradiol Propanol Solvate

C18H24O2,C3H8O

Stevenson, Erin L.Lancaster, Robert W.Buanz, Asma B. M.Price, Louise S.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2019) 21, 13 2154

a=6.58547(6)Å   b=23.9331(3)Å   c=12.23603(11)Å

α=90°   β=90°   γ=90°

Beta Estradiol Acetontrile Solvate

C18H24O2,C2H3N

Stevenson, Erin L.Lancaster, Robert W.Buanz, Asma B. M.Price, Louise S.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2019) 21, 13 2154

a=6.98287(7)Å   b=13.56289(14)Å   c=18.1895(2)Å

α=90°   β=90°   γ=90°

Beta Estradiol Anhydrate

2(C18H24O2)

Stevenson, Erin L.Lancaster, Robert W.Buanz, Asma B. M.Price, Louise S.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2019) 21, 13 2154

a=6.41117(7)Å   b=12.19725(13)Å   c=37.9575(4)Å

α=90°   β=90°   γ=90°

Estradiol Hemihydrate

C18H24O2,HO0.5

Stevenson, Erin L.Lancaster, Robert W.Buanz, Asma B. M.Price, Louise S.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2019) 21, 13 2154

a=6.54127(8)Å   b=12.05549(14)Å   c=19.2527(2)Å

α=90°   β=90°   γ=90°

Cyheptamiede Form-III

C16H15N1O1

Vijay K. SrirambhatlaRui GuoSarah L. PriceAlastair J. Florence

Chem.Commun. (2016) 52, 7384

a=9.0171(5)Å   b=11.0071(6)Å   c=23.9483(13)Å

α=90°   β=90°   γ=90°

C4H6N2O4

C4H6N2O4

Lewis, T. C.Tocher, D. A.Day, G. M.Price, S. L.

CrystEngComm (2003) 5, 2 3

a=5.5028(13)Å   b=7.0583(16)Å   c=8.2718(19)Å

α=70.112(4)°   β=85.814(4)°   γ=74.095(4)°

1-H-Tetrazole, 1-(Phenylmethyl)

C8H8N4

Spencer, JohnPatel, HirenDeadman, John J.Palmer, Rex A.Male, LouiseColes, Simon J.Uzoh, Ogaga G.Price, Sarah L.

CrystEngComm (2012) 14, 20 6441

a=7.6843(5)Å   b=5.5794(4)Å   c=9.4459(7)Å

α=90.00°   β=100.949(4)°   γ=90.00°

7-Fluoroisatin Form I

C8H4FNO2

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=3.79560(10)Å   b=11.9933(3)Å   c=14.9907(4)Å

α=90.00°   β=90.631(3)°   γ=90.00°

7-Fluoroisatin Form II

C8H4FNO2

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=8.1207(13)Å   b=8.2351(15)Å   c=12.394(4)Å

α=70.87(2)°   β=85.834(17)°   γ=61.023(17)°

7-Fluoroisatin Form III

C8H4FNO2

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=7.1988(3)Å   b=12.7677(5)Å   c=14.9468(7)Å

α=90.00°   β=91.702(3)°   γ=90.00°

C7H5ClO2

C7H5ClO2

Polito, MarcoD'Oria, EmilianaMaini, LuciaKaramertzanis, Panagiotis G.Grepioni, FabriziaBraga, DarioPrice, Sarah L.

CrystEngComm (2008) 10, 12 1848

a=14.6382(16)Å   b=3.8142(6)Å   c=23.812(3)Å

α=90.00°   β=101.146(11)°   γ=90.00°

C8H8O2

C8H8O2

Polito, MarcoD'Oria, EmilianaMaini, LuciaKaramertzanis, Panagiotis G.Grepioni, FabriziaBraga, DarioPrice, Sarah L.

CrystEngComm (2008) 10, 12 1848

a=4.831(3)Å   b=19.420(6)Å   c=7.7608(19)Å

α=90.00°   β=106.87(3)°   γ=90.00°

C15H13ClO4

C15H13ClO4

Polito, MarcoD'Oria, EmilianaMaini, LuciaKaramertzanis, Panagiotis G.Grepioni, FabriziaBraga, DarioPrice, Sarah L.

CrystEngComm (2008) 10, 12 1848

a=3.8267(3)Å   b=23.260(2)Å   c=7.65020(10)Å

α=90.00°   β=104.372(7)°   γ=90.00°

(Antipyrine)(4-Aminobenzoic acid)

C11H12N2O,C7H7NO2

Issa, NizarBarnett, Sarah A.Mohamed, SharmarkeBraun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=9.5767(12)Å   b=12.7646(17)Å   c=13.9388(18)Å

α=90.00°   β=90.758(2)°   γ=90.00°

(2,2'-Bipyridine)(Succinic acid)

C10H8N2,C4H6O4

Issa, NizarBarnett, Sarah A.Mohamed, SharmarkeBraun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=8.958(3)Å   b=5.1788(14)Å   c=14.357(4)Å

α=90.00°   β=106.109(4)°   γ=90.00°

2(Phenazine)(4-Aminobenzoic acid)

2(C12H8N2),C7H7NO2

Issa, NizarBarnett, Sarah A.Mohamed, SharmarkeBraun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=15.557(2)Å   b=17.056(3)Å   c=19.782(3)Å

α=80.658(5)°   β=78.559(7)°   γ=77.168(6)°

2(Diphenylcyclopropenone)(Succinic Acid)

C15H10O,0.5(C4H6O4)

Issa, NizarBarnett, Sarah A.Mohamed, SharmarkeBraun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=14.654(4)Å   b=5.5540(14)Å   c=16.288(4)Å

α=90.00°   β=90.471(4)°   γ=90.00°

1beta

C30H18

Goldstein, Rebecca I.Guo, RuiHughes, ConorMaurer, Daniel P.Newhouse, Timothy R.Sisto, Thomas J.Conry, Rebecca R.Price, Sarah L.Thamattoor, Dasan M.

CrystEngComm (2015) 17, 26 4877

a=12.8185(10)Å   b=14.0656(11)Å   c=11.5956(9)Å

α=90°   β=112.1330(10)°   γ=90°

1aplha

C30H18

Goldstein, Rebecca I.Guo, RuiHughes, ConorMaurer, Daniel P.Newhouse, Timothy R.Sisto, Thomas J.Conry, Rebecca R.Price, Sarah L.Thamattoor, Dasan M.

CrystEngComm (2015) 17, 26 4877

a=12.388(3)Å   b=5.0693(11)Å   c=15.112(3)Å

α=90°   β=94.269(3)°   γ=90°

2(C18H24O2),CH4O

2(C18H24O2),CH4O

Stevenson, Erin L.Lancaster, Robert W.Buanz, Asma B. M.Price, Louise S.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2019) 21, 13 2154

a=7.31144(16)Å   b=9.2985(2)Å   c=12.3778(2)Å

α=89.7413(17)°   β=88.0129(17)°   γ=70.786(2)°

5H-Dibenz(b,f)azepine-5-carboxamide

C15H12N2O

Jean-Baptiste ArlinLouise S. PriceSarah L. PriceAlastair J. Florence

Chem.Commun. (2011) 47, 7074

a=9.1245(5)Å   b=10.4518(5)Å   c=24.8224(11)Å

α=90.00°   β=90.00°   γ=90.00°

3-Oxauracil

C4H3NO3

Copley, Royston C. B.Deprez, Lucie S.Lewis, Thomas C.Price, Sarah L.

CrystEngComm (2005) 7, 69 421

a=7.7407(2)Å   b=5.54050(10)Å   c=10.4926(2)Å

α=90.00°   β=103.6430(10)°   γ=90.00°

3-Oxauracil monohydrate

C4H3NO3,H2O

Copley, Royston C. B.Deprez, Lucie S.Lewis, Thomas C.Price, Sarah L.

CrystEngComm (2005) 7, 69 421

a=14.4737(3)Å   b=6.00300(10)Å   c=6.36260(10)Å

α=90.00°   β=90.00°   γ=90.00°

5-hydroxy-2,4(1H,3H)pyrimidinedione

C4H4N2O3

Copley, Royston C. B.Deprez, Lucie S.Lewis, Thomas C.Price, Sarah L.

CrystEngComm (2005) 7, 69 421

a=4.61950(10)Å   b=7.04930(10)Å   c=7.3452(2)Å

α=88.1690(10)°   β=81.5040(10)°   γ=86.2450(10)°

10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide

C15H14N2O

Arlin, Jean-BaptisteJohnston, AndreaMiller, Gary J.Kennedy, Alan R.Price, Sarah L.Florence, Alastair J.

CrystEngComm (2010) 12, 1 64

a=13.207(6)Å   b=5.347(2)Å   c=18.891(7)Å

α=90.00°   β=116.37(2)°   γ=90.00°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4302Å   b=6.4217Å   c=17.3636Å

α=90°   β=104.924°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4454Å   b=6.465Å   c=8.3971Å

α=85.224°   β=98.6303°   γ=89.3018°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.3701Å   b=16.9795Å   c=6.487Å

α=90°   β=88.951°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=7.8007Å   b=5.6275Å   c=8.9558Å

α=115.634°   β=96.6441°   γ=86.5482°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=22.1358Å   b=7.2263Å   c=16.7948Å

α=90°   β=147.098°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=7.8592Å   b=7.3337Å   c=10.2168Å

α=121.33°   β=74.3073°   γ=133.892°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=5.7272Å   b=7.5677Å   c=16.8721Å

α=90°   β=101.694°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=5.7455Å   b=15.6501Å   c=8.1342Å

α=90°   β=78.3204°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4237Å   b=8.6118Å   c=12.929Å

α=90°   β=89.645°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.1059Å   b=6.4606Å   c=8.6843Å

α=83.6867°   β=86.8885°   γ=135.26°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4113Å   b=12.8292Å   c=8.9624Å

α=90°   β=71.1273°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.3867Å   b=6.4716Å   c=8.7393Å

α=83.4438°   β=77.757°   γ=90.4327°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4497Å   b=6.3318Å   c=17.2165Å

α=90°   β=92.0581°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4368Å   b=6.4313Å   c=17.0409Å

α=90°   β=99.5221°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.0537Å   b=5.7936Å   c=13.8981Å

α=90°   β=106.662°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.1137Å   b=5.7466Å   c=14.013Å

α=90°   β=106.973°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4302Å   b=6.4217Å   c=17.3636Å

α=90°   β=104.924°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4454Å   b=6.465Å   c=8.3971Å

α=85.224°   β=98.6303°   γ=89.3018°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.3701Å   b=16.9795Å   c=6.487Å

α=90°   β=88.951°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=7.8007Å   b=5.6275Å   c=8.9558Å

α=115.634°   β=96.6441°   γ=86.5482°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=7.8592Å   b=7.3337Å   c=10.2168Å

α=121.33°   β=74.3073°   γ=133.892°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=5.7455Å   b=15.6501Å   c=8.1342Å

α=90°   β=78.3204°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4237Å   b=8.6118Å   c=12.929Å

α=90°   β=89.645°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4113Å   b=12.8292Å   c=8.9624Å

α=90°   β=71.1273°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=5.7272Å   b=7.5677Å   c=16.8721Å

α=90°   β=101.694°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.1059Å   b=6.4606Å   c=8.6843Å

α=83.6867°   β=86.8885°   γ=135.26°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.3867Å   b=6.4716Å   c=8.7393Å

α=83.4438°   β=77.757°   γ=90.4327°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4497Å   b=6.3318Å   c=17.2165Å

α=90°   β=92.0581°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=6.4368Å   b=6.4313Å   c=17.0409Å

α=90°   β=99.5221°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.0537Å   b=5.7936Å   c=13.8981Å

α=90°   β=106.662°   γ=90°

C6H10N2O2

C6H10N2O2

Nowell, HarriottPrice, Sarah L.

Acta Crystallographica, Section B: Structural Science (2005) 61, 5 558-568

a=9.1137Å   b=5.7466Å   c=14.013Å

α=90°   β=106.973°   γ=90°

HOAt Form I

C5H4N4O

Harriott NowellChristopher S. FramptonJulie WaiteSarah L. Price

Acta Crystallographica Section B (2006) 62, 4 642-650

a=22.0427(6)Å   b=3.93110(10)Å   c=14.2340(4)Å

α=90.00°   β=114.8850(10)°   γ=90.00°

HOAt Form II

C5H4N4O

Harriott NowellChristopher S. FramptonJulie WaiteSarah L. Price

Acta Crystallographica Section B (2006) 62, 4 642-650

a=3.74870(10)Å   b=20.8881(5)Å   c=7.0982(2)Å

α=90.00°   β=96.2570(10)°   γ=90.00°

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=4.63220Å   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=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=4.66110Å   b=12.45650Å   c=34.39970Å

α=90°   β=91.1110°   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=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=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=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=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=4.80310Å   b=42.84330Å   c=10.13360Å

α=90°   β=107.6900°   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=19.68880Å   b=4.64040Å   c=25.15110Å

α=90°   β=119.7400°   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=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=14.64800Å   b=9.37790Å   c=17.03990Å

α=90°   β=120.2790°   γ=90°