Structures by: Row T. N.
Total: 87
4-Flurobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.816(6)Å b=6.3759(11)Å c=26.571(4)Å
α=90° β=94.353(18)° γ=90°
4-Flurobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7812(8)Å b=6.3418(13)Å c=26.539(5)Å
α=90° β=94.11(3)° γ=90°
2-fluorobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=6.5525(13)Å b=3.7524(8)Å c=25.021(5)Å
α=90° β=92.82(3)° γ=90°
2-fluorobenzoic acid:Isonicotinamide
C7H4FO2,C6H6N2O
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=7.0275(9)Å b=7.4474(9)Å c=12.6005(16)Å
α=74.371(5)° β=87.185(6)° γ=70.004(5)°
P-flurobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7041(2)Å b=6.2642(4)Å c=26.6604(17)Å
α=90° β=92.960(3)° γ=90°
4-fluorobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7411(7)Å b=6.3050(13)Å c=26.564(5)Å
α=90° β=93.54(3)° γ=90°
4-fluorobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7637(8)Å b=6.3314(13)Å c=26.607(5)Å
α=90° β=93.76(3)° γ=90°
3-fluorobenzoic acid
C7H5FO2
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=6.7465(13)Å b=3.7192(7)Å c=24.285(5)Å
α=90° β=92.91(3)° γ=90°
4-flurobenzoic acid:Isonicotinamide
C7H5FO2,C6H6N2O
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=22.046(3)Å b=5.2078(6)Å c=20.995(3)Å
α=90° β=95.888(8)° γ=90°
C5H17B5N2O10
C5H17B5N2O10
The journal of physical chemistry. A (2011) 115, 45 12818-12825
a=9.5031(4)Å b=14.1216(7)Å c=10.4957(5)Å
α=90° β=90.586(3)° γ=90°
C6H18N2,2(CNS)
C6H18N2,2(CNS)
The journal of physical chemistry. A (2007) 111, 32 7888-7897
a=5.8915(2)Å b=6.8875(2)Å c=8.2113(2)Å
α=73.8950(10)° β=79.2280(10)° γ=85.917(3)°
Li Bi4 Ta3 O14
Bi4LiO14Ta3
J. Phys. Chem. B (2005) 109, 11442-11449
a=13.016Å b=7.5832Å c=12.226Å
α=90° β=101.477° γ=90°
C24H38Na2O14P
C24H38Na2O14P
Organic & biomolecular chemistry (2005) 3, 20 3695-3700
a=9.408(9)Å b=11.050(10)Å c=31.83(3)Å
α=90° β=90° γ=90°
Phenylmethanol
C7H8O
CrystEngComm (2010) 12, 10 3112
a=5.840(5)Å b=4.871(4)Å c=10.764(10)Å
α=90.00° β=91.656(16)° γ=90.00°
1-(bromomethyl)benzene
C7H7Br
CrystEngComm (2010) 12, 10 3112
a=4.592(2)Å b=7.737(4)Å c=9.507(5)Å
α=90° β=94.213(8)° γ=90°
Phenylmethanamine
C7H9N
CrystEngComm (2010) 12, 10 3112
a=10.623(3)Å b=10.623(3)Å c=5.5031(18)Å
α=90° β=90° γ=90°
1-(Chloromethyl)benzene
C7H7Cl
CrystEngComm (2010) 12, 10 3112
a=8.2424(19)Å b=11.268(3)Å c=7.8204(18)Å
α=90° β=112.657(3)° γ=90°
Phenylmethanethiol
C7H8S
CrystEngComm (2010) 12, 10 3112
a=5.5515(7)Å b=14.8529(19)Å c=8.0053(10)Å
α=90° β=100.668(2)° γ=90°
2-phenylacetonitrile
C8H7N
CrystEngComm (2010) 12, 10 3112
a=8.134(3)Å b=8.783(2)Å c=9.412(3)Å
α=90° β=96.368(6)° γ=90°
Toluene
C7H8
CrystEngComm (2010) 12, 10 3112
a=7.5889(11)Å b=5.8186(9)Å c=26.982(4)Å
α=90° β=106.136(2)° γ=90°
C82H88N8O6Zn,CH4O,C2H3N
C82H88N8O6Zn,CH4O,C2H3N
Chemical Communications (2010) 46, 24 4345-4347
a=15.5813(6)Å b=17.2524(5)Å c=18.4381(6)Å
α=79.959(3)° β=65.028(4)° γ=76.432(3)°
1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline
C22H19F2NO
CrystEngComm (2006) 8, 3 265
a=12.924(3)Å b=11.081(2)Å c=23.689(5)Å
α=90.00° β=90.00° γ=90.00°
1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline
C22H19F2NO
CrystEngComm (2006) 8, 3 265
a=10.728(3)Å b=8.023(2)Å c=39.710(11)Å
α=90.00° β=90.00° γ=90.00°
1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline
C22H18F2NO
CrystEngComm (2006) 8, 3 265
a=16.628(6)Å b=45.589(12)Å c=9.044(3)Å
α=90.00° β=90.00° γ=90.00°
C22H20FNO
C22H20FNO
CrystEngComm (2006) 8, 3 265
a=15.952(4)Å b=17.980(4)Å c=6.0391(14)Å
α=90.00° β=90.00° γ=90.00°
C22H20FNO
C22H20FNO
CrystEngComm (2006) 8, 3 265
a=16.1076(11)Å b=9.1597(6)Å c=23.6002(16)Å
α=90.00° β=107.1160(10)° γ=90.00°
C22H20FNO
C22H20FNO
CrystEngComm (2006) 8, 3 265
a=13.233(4)Å b=11.129(3)Å c=23.205(7)Å
α=90.00° β=90.00° γ=90.00°
C14H15FN2O3
C14H15FN2O3
CrystEngComm (2011) 13, 2 591
a=15.829(4)Å b=7.2551(12)Å c=24.285(4)Å
α=90° β=106.972(5)° γ=90°
C15H18N2O4
C15H18N2O4
CrystEngComm (2011) 13, 2 591
a=12.2450(4)Å b=7.4478(2)Å c=16.1914(5)Å
α=90° β=106.676(3)° γ=90°
C14H14FN2O3
C14H14FN2O3
CrystEngComm (2011) 13, 2 591
a=7.5291(6)Å b=9.0289(7)Å c=11.2318(9)Å
α=106.417(1)° β=104.611(1)° γ=100.197(1)°
C14H15FN2O3,C13H12FN2O3,CH3
C14H15FN2O3,C13H12FN2O3,CH3
CrystEngComm (2011) 13, 2 591
a=12.0087(7)Å b=7.3445(4)Å c=29.8816(15)Å
α=90° β=92.941(4)° γ=90°
C14H15ClN2O3
C14H15ClN2O3
CrystEngComm (2011) 13, 2 591
a=12.7632(3)Å b=7.3290(2)Å c=29.7055(10)Å
α=90° β=93.705(2)° γ=90°
C14H15BrN2O3
C14H15BrN2O3
CrystEngComm (2011) 13, 2 591
a=7.5081(6)Å b=8.6307(8)Å c=12.7259(11)Å
α=105.102(8)° β=104.686(7)° γ=100.544(7)°
C15H18N2O4
C15H18N2O4
CrystEngComm (2011) 13, 2 591
a=15.7414(10)Å b=7.3100(4)Å c=26.3147(14)Å
α=90° β=103.377(6)° γ=90°
C15H18N2O3
C15H18N2O3
CrystEngComm (2011) 13, 2 591
a=12.7835(6)Å b=7.3412(3)Å c=29.5499(14)Å
α=90° β=93.462(4)° γ=90°
111 GASM 14D sovate
C7H6O5,C4H5NO2,0.5(C4H8O2)
CrystEngComm (2016) 18, 18 3191
a=4.9477(2)Å b=10.5762(5)Å c=13.8911(7)Å
α=109.507(5)° β=95.486(4)° γ=101.807(4)°
111 GASM hydrate
C7H6O5,C4H5NO2,H2O
CrystEngComm (2016) 18, 18 3191
a=4.7352(2)Å b=16.3413(5)Å c=15.6208(9)Å
α=90° β=91.454(4)° γ=90°
221 GASM hydrate
2(C7H6O5),2(C4H5NO2),H2O
CrystEngComm (2016) 18, 18 3191
a=8.0698(4)Å b=10.3449(6)Å c=15.3908(10)Å
α=102.993(5)° β=91.110(5)° γ=109.434(5)°
421 GASM hydrate
2(C7H6O5),4(C4H5NO2),H2O
CrystEngComm (2016) 18, 18 3191
a=11.4899(7)Å b=13.1674(7)Å c=13.3084(10)Å
α=67.527(6)° β=67.492(7)° γ=64.740(6)°
331 GASM EtOAc solvate
3(C7H6O5),C4H6O2,3(C4H5NO2)
CrystEngComm (2016) 18, 18 3191
a=9.1318(4)Å b=14.0453(6)Å c=15.5062(7)Å
α=79.362(4)° β=85.337(3)° γ=79.211(3)°
221 GASM Act solvate
2(C7H6O5),2(C4H5NO2),C3H6O
CrystEngComm (2016) 18, 18 3191
a=8.2761(4)Å b=11.6893(6)Å c=14.7645(7)Å
α=108.269(4)° β=97.664(4)° γ=101.744(4)°
221 GASM THF solvate
2(C7H6O5),2(C4H5NO2),C4H8O
CrystEngComm (2016) 18, 18 3191
a=5.927(5)Å b=8.342(5)Å c=13.899(5)Å
α=79.829(5)° β=84.029(5)° γ=77.411(5)°
C15H18N2O5
C15H18N2O5
CrystEngComm (2011) 13, 2 591
a=12.2806(10)Å b=7.4567(6)Å c=17.2659(14)Å
α=90° β=109.584(9)° γ=90°
C8H14N4OS
C8H14N4OS
CrystEngComm (2005) 7, 62 374
a=6.450(2)Å b=9.401(4)Å c=9.965(4)Å
α=76.674(5)° β=76.909(5)° γ=70.190(5)°
C8H14N4OS
C8H14N4OS
CrystEngComm (2005) 7, 62 374
a=14.182(9)Å b=9.295(6)Å c=8.723(5)Å
α=90° β=104.309(10)° γ=90°
Hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)
C20H14O6
CrystEngComm (2013) 15, 27 5403
a=9.5387(15)Å b=23.208(4)Å c=7.4056(12)Å
α=90° β=90° γ=90°
Hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)
C20H12F2O6
CrystEngComm (2013) 15, 27 5403
a=22.665(5)Å b=9.956(5)Å c=7.442(5)Å
α=90° β=90° γ=90°
Hexa-2,4-diyne-1,6-diyl bis(3-fluorophenylcarbonate)
C20H12F2O6
CrystEngComm (2013) 15, 27 5403
a=20.8305(12)Å b=3.9051(3)Å c=22.4954(12)Å
α=90° β=110.433(7)° γ=90°
Hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'
C20H12F2O6
CrystEngComm (2013) 15, 27 5403
a=9.6359(9)Å b=23.748(2)Å c=7.2680(6)Å
α=90° β=90° γ=90°
4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4- tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
C17H22N2O5S
CrystEngComm (2010) 12, 4 1205
a=8.0235(3)Å b=10.6374(5)Å c=11.8171(4)Å
α=84.489(3)° β=74.115(3)° γ=69.045(4)°
4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester
C15H18N2O3S
CrystEngComm (2010) 12, 4 1205
a=12.286(2)Å b=8.2534(10)Å c=15.956(3)Å
α=90° β=106.98(2)° γ=90°
C16H21N3O2S
C16H21N3O2S
CrystEngComm (2010) 12, 4 1205
a=7.369(3)Å b=9.4420(19)Å c=13.086(3)Å
α=102.79(3)° β=90.557(19)° γ=110.68(2)°
6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethy
C15H18N2O2S
CrystEngComm (2010) 12, 4 1205
a=7.3550(9)Å b=9.4652(12)Å c=12.2073(16)Å
α=74.218(2)° β=88.672(2)° γ=69.844(2)°
4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic
C14H15FN2O2S
CrystEngComm (2010) 12, 4 1205
a=7.347(2)Å b=9.542(3)Å c=11.327(4)Å
α=71.093(5)° β=88.642(5)° γ=69.792(5)°
4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic
C14H15ClN2O2S
CrystEngComm (2010) 12, 4 1205
a=7.294(3)Å b=10.430(4)Å c=10.634(4)Å
α=107.600(6)° β=90.610(6)° γ=107.820(6)°
Atovaquone
C22H19ClO3
CrystEngComm (2013) 15, 24 4871
a=12.548(2)Å b=5.2674(9)Å c=27.842(5)Å
α=90° β=92.573(3)° γ=90°
Cis-Atovaquone
C22H19ClO3
CrystEngComm (2013) 15, 24 4871
a=13.2516(10)Å b=10.9285(9)Å c=12.6302(10)Å
α=90° β=95.450(1)° γ=90°
2-cyclohexyl-3-hydroxynaphthalene-1,4-dione
C16H16O3
CrystEngComm (2013) 15, 24 4871
a=14.401(3)Å b=5.3279(9)Å c=17.393(3)Å
α=90° β=98.926(3)° γ=90°
Trans- 2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalene-1,4-dione
C20H15O3
CrystEngComm (2013) 15, 24 4871
a=5.9504(7)Å b=12.4798(15)Å c=12.9769(16)Å
α=107.582(2)° β=100.950(2)° γ=103.635(2)°
Cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione
C22H18Cl2O2
CrystEngComm (2013) 15, 24 4871
a=5.9770(18)Å b=12.226(4)Å c=13.103(4)Å
α=103.814(5)° β=90.038(4)° γ=95.271(6)°
Trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione
C22H18Cl2O2
CrystEngComm (2013) 15, 24 4871
a=10.3671(11)Å b=7.0515(7)Å c=25.102(2)Å
α=90° β=99.777(2)° γ=90°
Cis-2-(4-(4-chlorophenyl)cyclohexyl)-3-nitronaphthalene-1,4-dione
C22H18ClNO4
CrystEngComm (2013) 15, 24 4871
a=11.7512(16)Å b=12.7998(18)Å c=13.985(2)Å
α=75.766(3)° β=67.022(2)° γ=83.020(3)°
3-fluorobenzoic acid:Isonicotinamide
C7H5FO2,C6H6N2O
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=22.913(2)Å b=5.2046(5)Å c=20.0132(18)Å
α=90° β=100.212(7)° γ=90°
C7H6O2S
C7H6O2S
Acta Crystallographica Section B (2017) 73, 4 626-633
a=4.7811(10)Å b=5.7441(9)Å c=25.353(5)Å
α=90° β=94.49(2)° γ=90°
C7H6O2S
C7H6O2S
Acta Crystallographica Section B (2017) 73, 4 626-633
a=3.8630(3)Å b=6.0337(6)Å c=14.4721(10)Å
α=91.302(7)° β=93.062(7)° γ=92.925(8)°
C7H6O2S
C7H6O2S
Acta Crystallographica Section B (2017) 73, 4 626-633
a=7.84809(13)Å b=5.89857(12)Å c=14.6898(3)Å
α=90° β=100.3380(18)° γ=90°
2,4,6-Tris(cyclohexyloxy)-1,3,5-triazine
C21H33N3O3
Acta Crystallographica Section E (2015) 71, 11 1328-1331
a=9.7020(2)Å b=10.1456(3)Å c=11.2064(3)Å
α=96.528(2)° β=95.982(2)° γ=112.110(2)°
DHMPS
C15H15F3N2O2S
Acta Crystallographica Section E (2011) 67, 7 o1559-o1560
a=7.2682(3)Å b=9.3205(2)Å c=12.4779(3)Å
α=74.199(2)° β=88.092(3)° γ=69.377(3)°
4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2<i>H</i>-chromen-2-one
C15H19NO5
Acta Crystallographica Section E (2012) 68, 8 o2413-o2414
a=9.3038(5)Å b=7.9290(5)Å c=19.6216(12)Å
α=90° β=92.944(5)° γ=90°
Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidine-5-carboxylate
C15H16N2O4S
Acta Crystallographica Section E (2011) 67, 11 o3069-o3070
a=12.5102(9)Å b=7.2054(4)Å c=17.0881(12)Å
α=90.00° β=107.178(8)° γ=90.00°
(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
C16H15ClO4S
Acta Crystallographica Section E (2011) 67, 8 o2086
a=18.2795(12)Å b=9.0393(7)Å c=9.8673(6)Å
α=90.00° β=99.390(4)° γ=90.00°
C6H6FN
C6H6FN
Crystal Growth & Design (2006) 6, 4 843
a=10.755(7)Å b=5.419(4)Å c=9.046(6)Å
α=90° β=90° γ=90°
C6H5FN
C6H5FN
Crystal Growth & Design (2006) 6, 4 843
a=16.347(13)Å b=11.142(13)Å c=9.425(9)Å
α=90° β=103.36(2)° γ=90°
C13H6F2NO
C13H6F2NO
Crystal Growth & Design (2008) 8, 3 848
a=5.0669(9)Å b=5.3543(9)Å c=19.302(3)Å
α=90° β=95.512(3)° γ=90°
4-(acetylamino)-benzoic acid
C9H9NO3
Crystal Growth & Design (2011) 11, 2 616
a=5.0255(13)Å b=6.8219(13)Å c=12.196(3)Å
α=89.254(7)° β=80.804(7)° γ=79.282(5)°
1-Acetamido-4-methylbenzene
C9H11NO
Crystal Growth & Design (2011) 11, 2 616
a=11.662(1)Å b=9.4694(8)Å c=7.3997(6)Å
α=90° β=106.559(7)° γ=90°
P-acetamidobenzoic acid
C9H9NO3
Crystal Growth & Design (2011) 11, 2 616
a=5.0299(2)Å b=6.8310(3)Å c=12.1945(5)Å
α=89.227(2)° β=80.846(2)° γ=79.318(2)°
P-methoxy benzoic acid
C8H8O3
Crystal Growth & Design (2011) 11, 2 616
a=3.8760(3)Å b=10.9298(9)Å c=16.620(1)Å
α=90° β=93.383(4)° γ=90°
P-methyl benzoic acid
C8H8O2
Crystal Growth & Design (2011) 11, 2 616
a=7.2832(3)Å b=7.4255(3)Å c=7.8100(3)Å
α=96.067(2)° β=108.353(2)° γ=117.701(2)°
Acetanilide
C8H9NO
Crystal Growth & Design (2011) 11, 2 616
a=9.3710(9)Å b=7.7868(8)Å c=19.530(2)Å
α=90° β=90° γ=90°
4-fluoro benzoyl chloride
C7H4ClFO
Crystal Growth & Design (2012) 12, 4 1713
a=9.7208(14)Å b=9.1128(13)Å c=7.5178(11)Å
α=90° β=96.727(2)° γ=90°
2,3-difluoro benzoyl chloride
C7H3ClF2O
Crystal Growth & Design (2012) 12, 4 1713
a=6.8606(12)Å b=7.1974(12)Å c=8.0394(14)Å
α=94.604(3)° β=104.285(2)° γ=115.920(2)°
4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester
C14H15ClN2O2S
CrystEngComm (2010) 12, 4 1205
a=11.534(5)Å b=12.540(5)Å c=12.618(5)Å
α=81.012(5)° β=64.177(5)° γ=64.737(5)°
4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester
C15H18N2O3S
CrystEngComm (2010) 12, 4 1205
a=18.239(2)Å b=7.3435(8)Å c=25.197(3)Å
α=90° β=101.957(3)° γ=90°
Atovaquone
C22H19ClO3
CrystEngComm (2013) 15, 24 4871
a=5.9369(7)Å b=18.358(2)Å c=16.6699(18)Å
α=90° β=97.334(2)° γ=90°