Structures by: Cobo J.
Total: 558
2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine
C13H13ClN4O
Acta Crystallographica Section C (2009) 65, 1 o11-o14
a=11.1502(8)Å b=8.7271(8)Å c=13.7129(13)Å
α=90.00° β=105.676(7)° γ=90.00°
2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine,
C13H13ClN4O2
Acta Crystallographica Section C (2009) 65, 1 o11-o14
a=11.301(4)Å b=8.642(3)Å c=14.568(5)Å
α=90.00° β=111.13(3)° γ=90.00°
(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-7-trifluoromethyl-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine
C21H16F3NO2
Acta Crystallographica Section C (2010) 66, 11 o540-o546
a=7.2209(5)Å b=13.140(2)Å c=17.559(2)Å
α=90.00° β=90.00° γ=90.00°
(2<i>S</i>,4<i>R</i>)-8-Chloro-9-methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine
C21H18ClNO
Acta Crystallographica Section C (2010) 66, 11 o540-o546
a=7.4394(7)Å b=14.498(3)Å c=15.136(3)Å
α=90.00° β=90.00° γ=90.00°
2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide
C9H10N4O3
Acta Crystallographica Section C (2010) 66, 10 o521-o523
a=4.1760(6)Å b=11.296(2)Å c=12.070(3)Å
α=116.929(15)° β=90.478(13)° γ=95.767(15)°
1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one
C14H12N2O1
Acta Crystallographica Section C (2010) 66, 12 o589-o592
a=27.922(6)Å b=6.4261(8)Å c=14.668(3)Å
α=90.00° β=118.849(18)° γ=90.00°
(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine
C20H17NO
Acta Crystallographica Section C (2010) 66, 11 o540-o546
a=8.974(4)Å b=7.1817(8)Å c=22.718(9)Å
α=90.00° β=95.39(3)° γ=90.00°
10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate
C18H15N4O,Cl,1.5(H2O)
Acta Crystallographica Section C (2010) 66, 9 o469-o472
a=18.8725(10)Å b=18.4777(8)Å c=13.417(2)Å
α=90.00° β=134.307(7)° γ=90.00°
3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one
C29H22ClN3O
Acta Crystallographica Section C (2011) 67, 12 o479-o483
a=8.1014(5)Å b=11.3554(10)Å c=13.5762(11)Å
α=102.755(7)° β=90.013(8)° γ=108.268(7)°
3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- (4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-\ 5(1<i>H</i>)-one
C30H24ClN3O2
Acta Crystallographica Section C (2011) 67, 12 o479-o483
a=11.1911(9)Å b=11.4258(8)Å c=20.095(2)Å
α=97.411(6)° β=93.272(7)° γ=107.635(6)°
6-Chloro-3-methyl-1,4-diphenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C20H14ClN3O
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=16.784(3)Å b=9.6380(8)Å c=21.699(4)Å
α=90.00° β=108.820(12)° γ=90.00°
6-Chloro-3-methyl-4-(4-methylphenyl)-1-phenyl- pyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C21H16ClN3O
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=8.2898(8)Å b=9.9191(14)Å c=10.3666(10)Å
α=87.108(11)° β=86.808(8)° γ=85.088(12)°
6-Chloro-4-(4-chlorophenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C20H13Cl2N3O
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=20.868(3)Å b=9.603(4)Å c=16.924(9)Å
α=90.00° β=90.00° γ=90.00°
4-(4-bromophenyl)-6-chloro-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C20H13BrClN3O
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=9.3826(11)Å b=9.7781(12)Å c=10.1072(6)Å
α=108.077(10)° β=99.353(9)° γ=90.911(10)°
6-Chloro-4-(4-methoxyphenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C21H16ClN3O2
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=8.6972(8)Å b=10.039(2)Å c=10.090(2)Å
α=85.23(2)° β=80.856(16)° γ=86.665(16)°
6-Chloro-3-methyl-4-(4-nitrophenyl)-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde
C20H13ClN4O3
Acta Crystallographica Section C (2012) 68, 1 o12-o18
a=11.7839(13)Å b=9.9890(4)Å c=15.71(2)Å
α=90.00° β=106.084(8)° γ=90.00°
2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine
C12H13N5O2
Acta Crystallographica Section C (2012) 68, 5 o199-o203
a=6.975(2)Å b=7.4704(10)Å c=12.161(4)Å
α=102.90(2)° β=92.64(3)° γ=101.144(19)°
7-bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine
C20H15BrClNO
Acta Crystallographica Section C (2012) 68, 3 o123-o125
a=11.5083(8)Å b=8.1027(6)Å c=18.3210(16)Å
α=90.00° β=110.505(5)° γ=90.00°
2-<i>exo</i>-(5-nitrofuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine
C14H12N2O4
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=7.2248(5)Å b=18.1447(19)Å c=9.4504(8)Å
α=90.00° β=94.279(6)° γ=90.00°
7-fluoro-2-<i>exo</i>-(1-methyl-1<i>H</i>-pyrrol-2-yl)-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine
C15H15FN2O
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=27.141(4)Å b=5.4082(7)Å c=17.2849(18)Å
α=90.00° β=103.275(9)° γ=90.00°
7-fluoro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine
C15H14FNO2
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=5.5265(5)Å b=10.6652(19)Å c=20.905(4)Å
α=90.00° β=97.166(11)° γ=90.00°
7-fluoro-2-<i>exo</i>-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine
C15H14FNOS
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=9.272(2)Å b=10.9142(13)Å c=12.963(2)Å
α=90.00° β=101.023(11)° γ=90.00°
7-chloro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine
C15H14ClNO2
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=10.2835(13)Å b=5.4829(3)Å c=23.428(2)Å
α=90.00° β=96.665(9)° γ=90.00°
7-fluoro-2-<i>exo</i>-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine
C15H14FNOS
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=9.2106(16)Å b=10.906(2)Å c=13.4259(13)Å
α=90.00° β=106.086(12)° γ=90.00°
2-<i>exo</i>-(3-methylthiophen-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine
C16H14F3NO2S
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=16.234(3)Å b=5.6113(5)Å c=16.665(3)Å
α=90.00° β=106.143(14)° γ=90.00°
2-<i>exo</i>-(5-nitrofuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4- epoxy-1<i>H</i>-1-benzazepine
C15H11F3N2O5
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=20.4120(15)Å b=7.3690(18)Å c=10.035(3)Å
α=90.00° β=103.091(15)° γ=90.00°
<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol
C14H15NOS
Acta Crystallographica Section C (2012) 68, 3 o126-o130
a=9.5677(6)Å b=9.8798(4)Å c=14.7183(11)Å
α=104.726(5)° β=104.033(6)° γ=103.273(4)°
<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol
C15H17NOS
Acta Crystallographica Section C (2012) 68, 3 o126-o130
a=9.6764(5)Å b=10.6897(3)Å c=14.4433(5)Å
α=72.018(3)° β=89.108(3)° γ=72.494(3)°
(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine
C18H18FNO
Acta Crystallographica Section C (2012) 68, 5 o195-o198
a=9.6285(4)Å b=11.2875(5)Å c=13.5147(6)Å
α=90.00° β=99.565(3)° γ=90.00°
Ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3- aminopropionate
C19H28N6O3
Acta Crystallographica Section C (2012) 68, 5 o199-o203
a=11.6250(12)Å b=13.2225(11)Å c=13.0172(13)Å
α=90.00° β=101.920(8)° γ=90.00°
(2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine
C18H18ClNO
Acta Crystallographica Section C (2012) 68, 5 o195-o198
a=10.0891(10)Å b=10.981(2)Å c=13.7952(18)Å
α=90.00° β=92.771(11)° γ=90.00°
1,5-Bis(4-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione-- 1,5-bis(2-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione (84/16)
0.84(C26H19Cl2NO3),0.16(C26H19Cl2NO3)
Acta Crystallographica Section C (2012) 68, 6 o220-o225
a=22.268(4)Å b=22.268(4)Å c=18.398(5)Å
α=90.00° β=90.00° γ=90.00°
(9<i>RS</i>,10<i>RS</i>)-8,9-bis(4-chlorobenzyl)- 10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine
C36H22Cl2N2O4
Acta Crystallographica Section C (2012) 68, 6 o220-o225
a=10.6771(19)Å b=11.5208(15)Å c=15.7275(13)Å
α=83.956(11)° β=72.795(13)° γ=68.204(14)°
Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane
C13H18N6O2S2
Acta Crystallographica Section C (2013) 69, 9 1043-1046
a=19.862(6)Å b=7.4877(19)Å c=14.236(5)Å
α=90.00° β=133.61(2)° γ=90.00°
3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate
C22H20N2O5,2(H2O)
Acta Crystallographica Section C (2013) 69, 9 1081-1084
a=8.3637(9)Å b=21.493(3)Å c=13.0968(14)Å
α=90.00° β=119.941(13)° γ=90.00°
(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine
C27H25Cl2N3
Acta Crystallographica Section C (2013) 69, 9 1039-1042
a=8.8820(5)Å b=10.1168(17)Å c=14.279(3)Å
α=69.627(13)° β=72.298(10)° γ=84.381(11)°
C10H9N3O
C10H9N3O
The Journal of organic chemistry (2016) 81, 24 12364-12373
a=6.8354(5)Å b=11.3494(10)Å c=12.1390(9)Å
α=90° β=104.352(2)° γ=90°
Ethyl (<i>E</i>)-4-(4-bromostyryl)-2-methylquinoline-3-carboxylate
C21H18BrNO2
Acta Crystallographica Section C (2020) 76, 9
a=9.5709(6)Å b=10.6119(7)Å c=18.2074(10)Å
α=90° β=90.939(2)° γ=90°
4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-1-yl)-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine 0.374-hydrate
C21H19N5,0.374(H2O)
Acta Crystallographica Section C (2018) 74, 3
a=11.1086(5)Å b=8.7806(3)Å c=17.7753(9)Å
α=90° β=103.651(2)° γ=90°
N^4^-Benzyl-N^4^-phenylyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate
C18H16N6,H2O
Acta Crystallographica Section B (2008) 64, 5 610-622
a=10.1880(11)Å b=9.5136(10)Å c=33.695(4)Å
α=90.00° β=93.131(7)° γ=90.00°
4,4'-(2-thienylmethylene)bis(6-allyl-3-chloro-2-methylaniline)
C25H26Cl2N2S
Acta Crystallographica Section C (2009) 65, 9 o479-o482
a=8.7263(2)Å b=10.6766(2)Å c=12.2691(3)Å
α=77.1100(10)° β=87.7930(10)° γ=82.367(2)°
(Z)-5-(4-methoxybenzylidenene)-2-thioxothiazolidin-4-one
C11H9NO2S2
Acta Crystallographica Section C (2005) 61, 8 o477-o482
a=5.1314(2)Å b=10.4543(5)Å c=20.5324(9)Å
α=90.00° β=91.702(2)° γ=90.00°
3-<i>tert</i>-butyl-5-(4-nitrobenzylamino)-1-phenyl-1<i>H</i>-pyrazole
C20H22N4O2
Acta Crystallographica Section C (2009) 65, 6 o303-o310
a=9.6594(11)Å b=12.3991(11)Å c=15.4338(15)Å
α=90.00° β=97.744(8)° γ=90.00°
(2<i>RS</i>,5<i>SR</i>)-8-(trifluoromethoxy)-5,6-dihydro-1<i>H</i>-2,5-methanobenz[<i>e</i>][1,4]oxazocin-3(2<i>H</i>)-one
C12H10F3NO3
Acta Crystallographica Section C (2014) 70, 4 408-415
a=15.0601(8)Å b=9.2204(5)Å c=8.072(4)Å
α=90.00° β=91.668(10)° γ=90.00°
3-benzoylmethyl-3-hydroxyindolin-2-one
C16H13NO3
Acta Crystallographica Section C (2010) 66, 2 o79-o86
a=13.876(3)Å b=5.7725(8)Å c=16.280(3)Å
α=90.00° β=107.799(16)° γ=90.00°
<i>N</i>-{2-Amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinamide
C14H16N6O2
Acta Crystallographica Section C (2013) 69, 2 162-171
a=20.045(4)Å b=8.6868(7)Å c=17.990(3)Å
α=90.00° β=114.064(11)° γ=90.00°
Ethyl 3-amino-<i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin- 4-yl}propionate
C18H23N5O3
Acta Crystallographica Section C (2013) 69, 2 162-171
a=24.8226(5)Å b=7.1379(14)Å c=20.601(2)Å
α=90.00° β=106.213(8)° γ=90.00°
3-<i>tert</i>-Butyl-7-(4-methoxybenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione
C31H37N3O3
Acta Crystallographica Section C (2008) 64, 12 o665-o670
a=9.5971(8)Å b=11.2549(16)Å c=12.1452(14)Å
α=86.979(11)° β=85.487(10)° γ=87.216(7)°
7-fluoro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine
C12H14FNO
Acta Crystallographica Section C (2009) 65, 3 o92-o96
a=10.5258(13)Å b=7.4501(13)Å c=13.251(2)Å
α=90.00° β=93.441(2)° γ=90.00°
3-<i>tert</i>-butyl-7-(4-methylbenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine
C23H27N3O
Acta Crystallographica Section C (2009) 65, 8 o423-o430
a=8.9500(7)Å b=11.2146(10)Å c=10.0768(9)Å
α=90.00° β=107.572(5)° γ=90.00°
4-(2-Fluorophenyl)-6-(1<i>H</i>-indol-1-yl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile
C28H18FN5
Acta Crystallographica Section C (2009) 65, 8 o374-o376
a=24.155(3)Å b=10.5830(7)Å c=18.712(3)Å
α=90.00° β=105.743(10)° γ=90.00°
(2<i>SR</i>,4<i>RS</i>)-7-chloro-2-<i>exo</i>-(2-chloro-6-fluorophenyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine
C16H12Cl2FNO
Acta Crystallographica Section C (2009) 65, 9 o465-o469
a=9.2907(11)Å b=10.8720(9)Å c=13.4523(13)Å
α=90.00° β=95.964(8)° γ=90.00°
4-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate
C11H11N3O2,H2O
Acta Crystallographica Section C (2007) 63, 1 o21-o25
a=8.0166(2)Å b=7.5082(2)Å c=18.5507(5)Å
α=90.00° β=91.8140(16)° γ=90.00°
Methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate
C17H14N4O4
Acta Crystallographica Section C (2007) 63, 9 o510-o513
a=12.3516(8)Å b=7.5202(4)Å c=17.1564(13)Å
α=90.00° β=100.699(5)° γ=90.00°
1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
C22H19N3O2
Acta Crystallographica Section C (2005) 61, 6 o404-o407
a=7.3810(2)Å b=10.8016(3)Å c=22.1319(5)Å
α=90.00° β=90.00° γ=90.00°
Morpholin-4-ium 4-amino-2-(morpholin-4-yl)-5-nitroso-6-oxo-1,6-dihydropyrimidin-1-ide
C4H10NO,C8H10N5O3
Acta Crystallographica Section C (2008) 64, 4 o220-o225
a=9.4410(11)Å b=16.347(4)Å c=18.799(5)Å
α=90.00° β=90.045(15)° γ=90.00°
(2<i>SR</i>,4<i>RS</i>)-7-Methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine
C21H19NO
Acta Crystallographica Section C (2010) 66, 11 o540-o546
a=10.7760(13)Å b=8.9612(11)Å c=15.4241(15)Å
α=90.00° β=96.799(10)° γ=90.00°
2-<i>exo</i>-(5-methylfuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine
C16H14F3NO3
Acta Crystallographica Section C (2012) 68, 3 o131-o140
a=5.5088(6)Å b=10.7619(17)Å c=13.1398(19)Å
α=110.011(10)° β=98.797(10)° γ=92.271(12)°