Structures by: Nogueras M.
Total: 159
(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>)-3-Chloro-10,13-dimethyl-17-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde
C20H27ClO2
Acta Crystallographica Section C (2018) 74, 12
a=12.984(2)Å b=6.2961(11)Å c=21.265(4)Å
α=90° β=94.306(5)° γ=90°
(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-Chloro-10,13-dimethyl-17-[(<i>R</i>)-6-methylheptan-2-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde
C28H45ClO
Acta Crystallographica Section C (2018) 74, 12
a=8.0097(6)Å b=14.8313(12)Å c=20.5873(15)Å
α=90° β=90° γ=90°
2-Amino-4-benzylamino-6-benzyloxy-5-nitrosopyrimidine
C18H17N5O2
Acta Crystallographica Section B (2002) 58, 2 300-315
a=11.677(2)Å b=13.362(3)Å c=21.478(4)Å
α=90.00° β=102.58(3)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxypyrimidin-4-yl)gylcinate
C15H17N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.3525(4)Å b=7.5420(5)Å c=14.9454(13)Å
α=91.797(3)° β=100.467(3)° γ=106.102(6)°
Ethyl N-(2-amino-6 benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate
C16H19N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=5.2399(16)Å b=31.1630(14)Å c=9.792(4)Å
α=90.00° β=100.200(12)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxo-5-nitrosopyrimidin-4-yl)-β-alaninate
C16H19N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.4830(2)Å b=16.6110(6)Å c=13.5378(6)Å
α=90.00° β=91.5420(11)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-L-phenylalaninate
C22H23N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.9899(3)Å b=8.4278(3)Å c=17.0042(7)Å
α=99.9100(12)° β=90.5610(13)° γ=111.4880(17)°
Ethyl N-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate
C23H25N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=8.6595(2)Å b=16.3567(4)Å c=16.9014(4)Å
α=105.2210(13)° β=104.6960(13)° γ=100.3720(12)°
4-Benzylamino-2, 6-bis(benzyloxy)-5-nitrosopyrimidine
C25H22N4O3
Acta Crystallographica Section B (2002) 58, 2 300-315
a=14.6856(5)Å b=7.7726(2)Å c=18.5721(8)Å
α=90.00° β=99.8847(13)° γ=90.00°
2-Benzylamino-4,6-bis(benzyloxy)-5-nitrosopyrimidine
C25H22N4O3
Acta Crystallographica Section B (2002) 58, 2 300-315
a=13.8074(3)Å b=15.8175(5)Å c=10.2119(5)Å
α=90.00° β=105.7490(11)° γ=90.00°
2-Amino-4,6-bis(benzyloxy)pyrimidine
C18H17N3O2
Acta Crystallographica Section B (2002) 58, 2 300-315
a=32.4902(9)Å b=7.5034(2)Å c=12.7804(4)Å
α=90.00° β=98.8790(16)° γ=90.00°
2-Amino-4,6-bis(pyrrolidino)-5-nitrosopyrimidine hydrate
C12H19.1N6O1.55
Acta Crystallographica Section B (2002) 58, 2 300-315
a=18.4687(8)Å b=8.1067(3)Å c=19.1880(6)Å
α=90.00° β=110.580(2)° γ=90.00°
8-methyl-7-(4-chlorophenyl)-10-phenyl-6,10-dihydro- 5H-benzo[h]pyrazolo[3,4-b]quinoline
C27H20ClN3
Acta Crystallographica Section B (2008) 64, 1 72-83
a=12.1072(4)Å b=14.2672(5)Å c=12.7635(4)Å
α=90.00° β=109.953(8)° γ=90.00°
8-methyl-7-(3-pyridinyl)-10-phenyl-6,10- dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline
C26H20N4
Acta Crystallographica Section B (2008) 64, 1 72-83
a=11.2274(6)Å b=13.7079(8)Å c=12.6935(7)Å
α=90.00° β=95.731(3)° γ=90.00°
11-(3,4,5-trimethoxyphenyl)-10-methyl-8-phenyl-6,8- dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline
C30H27N3O3
Acta Crystallographica Section B (2008) 64, 1 72-83
a=10.4716(9)Å b=20.0027(18)Å c=12.1529(9)Å
α=90.00° β=107.818(4)° γ=90.00°
8-methyl-7-(4-pyridinyl)-10-phenyl-10H- benzo[h]pyrazolo[3,4-b]quinoline
C26H18N4
Acta Crystallographica Section B (2008) 64, 1 72-83
a=11.3560(3)Å b=17.3507(5)Å c=9.7577(2)Å
α=90.00° β=97.262(2)° γ=90.00°
11-(4-methoxyphenyl)-10-methyl-8-phenyl-6,8-dihydro- 5H-benzo[f]pyrazolo[3,4-b]quinoline
C28H23N3O
Acta Crystallographica Section B (2008) 64, 1 72-83
a=18.0854(3)Å b=21.2296(5)Å c=23.8007(5)Å
α=90.00° β=108.2580(10)° γ=90.00°
11-(4-methylphenyl)-10-methyl-8-phenyl-6,8-dihydro- 5H-benzo[f]pyrazolo[3,4-b]quinoline
C28H23N3
Acta Crystallographica Section B (2008) 64, 1 72-83
a=11.1334(3)Å b=11.4672(2)Å c=17.6270(4)Å
α=97.858(2)° β=106.135(3)° γ=97.496(2)°
N^4^-(Cyclohexyl)-N^4^-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
C12H18N6
Acta Crystallographica Section B (2008) 64, 5 610-622
a=11.2407(10)Å b=7.3654(5)Å c=15.8178(12)Å
α=90.00° β=106.005(7)° γ=90.00°
N^4^-(3-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
C11H9ClN6
Acta Crystallographica Section B (2008) 64, 5 610-622
a=11.1960(8)Å b=8.5040(8)Å c=13.3815(12)Å
α=90.00° β=120.674(5)° γ=90.00°
N^4^-Methyl-N^4^-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
C12H12N6
Acta Crystallographica Section B (2008) 64, 5 610-622
a=10.6661(12)Å b=7.7279(9)Å c=14.359(2)Å
α=90.00° β=100.071(7)° γ=90.00°
2-[4-(6-Amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
C11H17N7O
Acta Crystallographica Section B (2008) 64, 5 610-622
a=7.0297(9)Å b=13.859(3)Å c=25.766(6)Å
α=90.00° β=90.00° γ=90.00°
N^4^-(4-Methoxyphenyl)-N^4^-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine hemihydrate
2(C13H14N6O),H2O
Acta Crystallographica Section B (2008) 64, 5 610-622
a=8.9516(5)Å b=12.0627(7)Å c=12.9053(7)Å
α=91.612(4)° β=92.065(3)° γ=95.259(5)°
C11H15ClN4O
C11H15ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=5.907(2)Å b=10.398(3)Å c=10.801(2)Å
α=110.86(3)° β=94.19(2)° γ=96.00(3)°
C9H13ClN4O
C9H13ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=11.328(3)Å b=8.0810(4)Å c=11.3849(12)Å
α=90.00° β=98.709(14)° γ=90.00°
C9H11ClN4O2
C9H11ClN4O2
Acta Crystallographica Section B (2008) 64, 5 596-609
a=7.3540(5)Å b=8.2910(13)Å c=17.276(3)Å
α=90.00° β=97.962(9)° γ=90.00°
C12H17ClN4O
C12H17ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=8.5722(6)Å b=8.7195(5)Å c=8.7681(7)Å
α=82.598(6)° β=82.701(5)° γ=88.645(5)°
C14H15ClN4O
C14H15ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=7.9897(5)Å b=8.0922(4)Å c=11.2786(7)Å
α=91.602(4)° β=107.220(5)° γ=91.776(5)°
C13H13ClN4O
C13H13ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=8.1811(12)Å b=8.8325(10)Å c=9.3356(6)Å
α=81.844(9)° β=82.015(10)° γ=73.041(7)°
C12H11ClN4O
C12H11ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=7.0568(7)Å b=8.211(2)Å c=10.565(3)Å
α=84.590(16)° β=82.363(14)° γ=78.687(14)°
C12H11ClN4O
C12H11ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=6.9938(6)Å b=7.9544(10)Å c=10.7507(14)Å
α=81.191(11)° β=82.469(12)° γ=87.333(10)°
C15H12ClN5O
C15H12ClN5O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=7.5716(7)Å b=16.6432(18)Å c=10.9450(7)Å
α=90.00° β=93.549(6)° γ=90.00°
C18H15ClN4O
C18H15ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=6.5520(11)Å b=11.1012(7)Å c=11.4111(4)Å
α=79.958(5)° β=84.802(9)° γ=77.009(9)°
C11H16ClN5O2
C11H16ClN5O2
Acta Crystallographica Section B (2008) 64, 5 596-609
a=7.2147(6)Å b=8.8563(10)Å c=10.2855(12)Å
α=84.856(10)° β=85.296(10)° γ=79.092(7)°
C10H13ClN4O
C10H13ClN4O
Acta Crystallographica Section B (2008) 64, 5 596-609
a=14.4681(17)Å b=11.1378(17)Å c=7.4534(7)Å
α=90.00° β=116.535(7)° γ=90.00°
N^4^-Methyl-N^4^-(4-phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate
C13H14N6,H2O
Acta Crystallographica Section B (2008) 64, 5 610-622
a=16.5577(12)Å b=8.6833(3)Å c=18.4640(13)Å
α=90.00° β=90.00° γ=90.00°
N^4^-Ethyl-N^4^-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine hemihydrate
C13H14N6,0.5(H2O)
Acta Crystallographica Section B (2008) 64, 5 610-622
a=17.642(3)Å b=18.278(3)Å c=8.3034(18)Å
α=90.00° β=103.512(17)° γ=90.00°
Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydro- 1-azapentalene-3a-carboxylate
C24H27NO3
Acta Crystallographica Section E (2006) 62, 1 o165-o167
a=8.8410(17)Å b=20.584(4)Å c=22.344(2)Å
α=90.00° β=90.00° γ=90.00°
1-(4-Methylphenylsulfonyl)-1H-1,2,3-benzotriazole
C13H11N3O2S
Acta Crystallographica Section E (2005) 61, 9 o2795-o2797
a=7.4211(3)Å b=9.2176(3)Å c=9.7823(3)Å
α=98.614(3)° β=104.249(2)° γ=102.684(3)°
2-(Benzotriazol-1-ylmethyl)-1-phenyl-3-pyrazolidinone
C16H15N5O
Acta Crystallographica Section E (2003) 59, 1 o66-o69
a=6.4009(2)Å b=8.3596(3)Å c=13.2794(5)Å
α=92.7780(10)° β=94.3820(10)° γ=95.039(3)°
3-tert-butyl-5-[(4-methoxybenzylidene)amino]-1-phenylpyrazole
C21H23N3O
Acta Crystallographica Section E (2003) 59, 2 o250-o252
a=10.0744(3)Å b=6.2583(2)Å c=28.9244(9)Å
α=90.00° β=101.0410(13)° γ=90.00°
1-(4-bromophenyl)-3-[2-(2-hydroxyethyl)amino-5-nitroanilino]-1-propanone
C17H18BrN3O4,C3H7NO
Acta Crystallographica Section E (2003) 59, 3 o296-o298
a=10.5267(2)Å b=10.7688(3)Å c=10.9397(3)Å
α=77.646(2)° β=72.743(2)° γ=62.7565(12)°
6(R)-Acetoxymethyl-5(S)-acetyl-2(S)-(benzotriazol-1-yl)-5,6-dihydro-2H-pyran
C16H17N3O5
Acta Crystallographica Section E (2003) 59, 3 o334-o336
a=5.5167(3)Å b=17.7388(11)Å c=8.2217(5)Å
α=90.00° β=94.139(3)° γ=90.00°
1-(Benzotriazol-1-ylmethyl)-5-(4-dimethylaminophenyl)-3- phenyl-4,5-dihydro-1H-pyrazole
C24H24N6
Acta Crystallographica Section E (2003) 59, 4 o517-o518
a=10.8485(2)Å b=14.4584(4)Å c=14.0433(4)Å
α=90.00° β=106.8400(10)° γ=90.00°
5-(Benzo[1,3]dioxol-5-yl)-7-(4-chloro-phenyl)-3-methyl-1-phenyl-1,6,7,8- tetrahydropyrazolo[3,4-b][1,4]diazepine
C26H21ClN4O2
Acta Crystallographica Section E (2003) 59, 1 o18-o20
a=11.3422(2)Å b=15.6889(3)Å c=24.1716(5)Å
α=90.00° β=92.4370(10)° γ=90.00°
4-(4-bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b] quinolin-5(6H)-one
C19H20BrN3O
Acta Crystallographica Section E (2001) 57, 2 o151-o153
a=8.6673(2)Å b=14.6092(3)Å c=14.4783(5)Å
α=90.00° β=107.2870(10)° γ=90.00°
3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one
C23H23N3O
Acta Crystallographica Section E (2001) 57, 2 o160-o162
a=9.1222(18)Å b=15.281(3)Å c=14.346(3)Å
α=90.00° β=106.13(3)° γ=90.00°
5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
C14H12N2O4S
Acta Crystallographica Section E (2001) 57, 2 o180-o181
a=6.3459(13)Å b=19.235(4)Å c=11.144(2)Å
α=90.00° β=103.07(3)° γ=90.00°
6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine
C19H12N4O4
Acta Crystallographica Section E (2001) 57, 2 o182-o184
a=5.5421(2)Å b=11.5858(5)Å c=23.8057(13)Å
α=90.00° β=90.00° γ=90.00°
5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one
C17H19N3O
Acta Crystallographica Section E (2001) 57, 2 o185-o186
a=19.0427(2)Å b=9.6024(4)Å c=16.6135(7)Å
α=90.00° β=90.00° γ=90.00°
6-(2-hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine
C19H13N3O2
Acta Crystallographica Section E (2001) 57, 2 o187-o188
a=5.6606(2)Å b=11.7048(5)Å c=21.6815(10)Å
α=90.00° β=94.7970(15)° γ=90.00°
3,7,7-Trimethyl-4-(4-methoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one (4).
C20H23N3O2
Acta Crystallographica Section E (2001) 57, 2 o154-o156
a=8.5820(3)Å b=14.7031(5)Å c=14.5369(8)Å
α=90.00° β=106.0610(15)° γ=90.00°
3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5- (6H)-one
C19H21N3O
Acta Crystallographica Section E (2001) 57, 2 o157-o159
a=10.0870(5)Å b=14.1978(5)Å c=11.1928(8)Å
α=90.00° β=96.0340(14)° γ=90.00°
6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline
C17H16N4
Acta Crystallographica Section E (2001) 57, 2 o178-o179
a=10.7112(3)Å b=10.8297(3)Å c=23.6321(5)Å
α=90.00° β=90.00° γ=90.00°
5-Amino-4-(benzotriazol-1-ylmethyl)-1-phenyl-3-tert-butylpyrazole
C20H22N6
Acta Crystallographica Section E (2002) 58, 1 o53-o54
a=13.465(3)Å b=15.135(3)Å c=9.1558(18)Å
α=90.00° β=108.86(3)° γ=90.00°
5-[(6-Chloro-[1,3]benzothiazol-2-ylamino)-methylene]-2,2-dimethyl- [1,3]dioxane-4,6-dione
C14H11ClN2O4S
Acta Crystallographica Section E (2002) 58, 1 o57-o58
a=5.3389(4)Å b=28.583(2)Å c=9.8618(8)Å
α=90.00° β=109.178(4)° γ=90.00°
1-(2-Methyl-2,3-dihydro-indol-1-ylmethyl)-1H-benzotriazole
C16H16N4
Acta Crystallographica Section E (2002) 58, 1 o55-o56
a=7.5660(3)Å b=17.7842(8)Å c=10.2284(4)Å
α=90.00° β=104.689(3)° γ=90.00°
3-(Benzotriazol-1-yl)-p-nitropropiophenone
C15H12N4O3
Acta Crystallographica Section E (2002) 58, 7 o769-o771
a=5.9554(2)Å b=6.9671(3)Å c=31.8248(13)Å
α=90.00° β=96.8560(17)° γ=90.00°
11-Chloro-5H-6,7-dihydrobenzothiazolo[2,3-b]benzo[h]quinazoline
C18H13Cl1N2S1
Acta Crystallographica Section E (2001) 57, 10 o937-o938
a=7.2637(3)Å b=14.4294(5)Å c=15.1081(5)Å
α=70.368(3)° β=78.550(2)° γ=89.0800(14)°
4-amino-6-(2,2-diethoxyethoxy)-2-(methylsulfanyl)pyrimidine
C11H19N3O3S
Acta Crystallographica Section E (2006) 62, 8 o3142-o3144
a=7.2280(8)Å b=9.6360(9)Å c=10.0850(10)Å
α=81.197(9)° β=82.390(7)° γ=78.817(8)°
[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate
C18H22N4O9
Acta Crystallographica Section C (1999) 55, 3 452-454
a=7.941(3)Å b=17.481(2)Å c=14.511(3)Å
α=90.00° β=90.00° γ=90.00°
2-methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)-one
C24H22N3O2P
Acta Crystallographica Section C (1998) 54, 9 1355-1357
a=16.599(2)Å b=13.957(2)Å c=18.105(3)Å
α=90.00° β=95.929(12)° γ=90.00°
2-methylthio-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)- one
C24H22N3OPS
Acta Crystallographica Section C (1998) 54, 9 1355-1357
a=8.666(2)Å b=10.985(3)Å c=12.373(3)Å
α=79.291(12)° β=75.62(2)° γ=70.693(14)°
5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine
C26H20N4O
Acta Crystallographica Section C (1999) 55, 12 IUC9900168
a=15.6264(3)Å b=12.4397(2)Å c=21.1296(4)Å
α=90.00° β=91.4371(9)° γ=90.00°
3,4-Bis(4-chlorophenyl)-5-cyano-6-phenyl-1H-pyrazolo-[3,4-b]pyridine
C25H14Cl2N4
Acta Crystallographica Section C (1999) 55, 12 IUC9900168
a=6.6222(5)Å b=11.0791(10)Å c=28.264(2)Å
α=90.00° β=96.248(5)° γ=90.00°
Piperidinium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
C5H12N1,C5H5N4O31
Acta Crystallographica Section C (1999) 55, 12 IUC9900153
a=10.055(2)Å b=10.405(2)Å c=12.138(2)Å
α=100.89(3)° β=98.99(3)° γ=96.72(3)°
2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine
C19H22N4O10
Acta Crystallographica Section C (1999) 55, 12 IUC9900163
a=7.7633(8)Å b=22.049(2)Å c=13.0223(19)Å
α=90.00° β=90.00° γ=90.00°
6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine
C23H30N4O13
Acta Crystallographica Section C (1999) 55, 12 IUC9900164
a=9.0315(8)Å b=17.0918(13)Å c=18.1487(13)Å
α=90.00° β=90.00° γ=90.00°
4-(4-chlorophenyl)-5-cyano-3-(4-methylphenyl)-6-diphenyl-4,7-dihydro-2H-pyrazolo [3,4-b]pyridine:dimethylformamide (2/1)
2C26H19ClN4,C3H7NO
Acta Crystallographica Section C (1999) 55, 12 IUC9900168
a=12.4124(5)Å b=13.8275(4)Å c=14.3744(6)Å
α=91.747(2)° β=106.6376(17)° γ=99.610(2)°
6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine
C20H25N5O11
Acta Crystallographica Section C (1998) 54, 7 IUC9800031
a=9.1779(8)Å b=9.5094(7)Å c=29.070(2)Å
α=90.00° β=90.00° γ=90.00°
5-Bis(trimethylsilyl)amino-2-methoxy-3-methyl-6-(trimethylsilylamino)- pyrimidin-4(3H)-one
C15H34N4O2Si3
Acta Crystallographica Section C (1998) 54, 7 IUC9800030
a=10.2091(9)Å b=11.4381(9)Å c=20.236(3)Å
α=90.00° β=93.831(9)° γ=90.00°
N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate
C7H9N5O4,2H2O
Acta Crystallographica Section C (1997) 53, 7 890-892
a=9.2739(13)Å b=16.682(2)Å c=14.690(2)Å
α=90.00° β=90.00° γ=90.00°
6-acetylamino-4-methoxy-2-methylthiopyrimidine
C8H11N3O2S
Acta Crystallographica Section C (1996) 52, 8 2035-2037
a=9.6850(6)Å b=6.7980(7)Å c=15.183(1)Å
α=90° β=90° γ=90°
(3R,4R,4aS,10aR)-5-acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6- oxo-2H-pyrano[3,2-g]pteridin-3,4-diyl diacetate
C17H22N4O8
Acta Crystallographica Section C (1995) 51, 10 2141-2143
a=9.9075(7)Å b=12.4566(13)Å c=16.047(2)Å
α=90.0° β=90.0° γ=90.0°
2-amino-4,5-dicarbomethoxy-6-methoxypyridine
C10H12N2O5
Acta Crystallographica Section C (1996) 52, 1 143-145
a=7.2245(15)Å b=8.7974(13)Å c=9.181(2)Å
α=81.627(13)° β=80.521(13)° γ=76.580(15)°
2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine
C21H26N2O12
Acta Crystallographica Section C (1996) 52, 1 145-148
a=7.8019(10)Å b=15.889(2)Å c=10.202(2)Å
α=90° β=96.24(2)° γ=90°
2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine
C21H26N2O11S
Acta Crystallographica Section C (1996) 52, 1 145-148
a=7.8583(9)Å b=15.842(2)Å c=10.368(2)Å
α=90° β=94.047(14)° γ=90°
5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one
C14H20N4O6
Acta Crystallographica Section C (1996) 52, 1 254-256
a=8.7777(7)Å b=16.8264(18)Å c=11.3773(9)Å
α=90.00° β=93.077(7)° γ=90.00°
2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one
C16H20N4O9S1
Acta Crystallographica Section C (1996) 52, 1 148-150
a=6.9874(4)Å b=10.647(2)Å c=27.0341(16)Å
α=90.00° β=90.00° γ=90.00°
6-amino-2-methoxy-3-methyl-5-[(E)-1,2-dicarbomethoxyvinyl]pyrimidin-4-(3H)- one
C12H15N3O6
Acta Crystallographica Section C (1994) 50, 4 585-587
a=7.4731(7)Å b=10.8843(8)Å c=9.0286(6)Å
α=90.0° β=112.992(7)° γ=90.0°
(3S,4S,4aR,10as)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin-3,4-diyl diacetate
C17H22N4O8
Acta Crystallographica Section C (1998) 54, 11 IUC9800060
a=9.9115(13)Å b=12.4531(13)Å c=16.053(3)Å
α=90.00° β=90.00° γ=90.00°
6-amino-4-methoxy-2-methylthiopyrimidine
C6H9N3OS
Acta Crystallographica Section C (1996) 52, 2 418-420
a=7.519(4)Å b=14.202(3)Å c=7.885(3)Å
α=90.00° β=109.26(4)° γ=90.00°
5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione
C10H12N4O5
Acta Crystallographica Section C (1999) 55, 5 749-751
a=22.2132(15)Å b=12.9986(13)Å c=8.5456(5)Å
α=90.00° β=96.107(5)° γ=90.00°
N'-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-N,N-dimethyliminoformamide
C8H11ClN4S
Acta Crystallographica Section E (2006) 62, 9 o3910-o3911
a=7.4817(2)Å b=8.5739(2)Å c=9.818(3)Å
α=111.973(2)° β=91.661(2)° γ=114.566(2)°
Methyl 4-amino-1,3-dioxo-2,3-dihydro-6-methoxy-1H- pyrrolo[3,4-c]pyridine-7-carboxylate
C10H9N3O5
Acta Crystallographica Section C (2001) 57, 5 597-599
a=6.8189(2)Å b=16.1505(4)Å c=9.6257(3)Å
α=90° β=100.7612(13)° γ=90°
N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine--water (4/1)
2C10H15N5O4,0.5H2O
Acta Crystallographica Section C (2001) 57, 5 604-607
a=21.4179(6)Å b=11.1466(2)Å c=14.9649(3)Å
α=90° β=133.4280(6)° γ=90°
Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate-- dimethyl sulfoxide (1/1)
C11H12N4O5,C2H6OS
Acta Crystallographica Section C (2001) 57, 5 608-610
a=8.8926(2)Å b=10.2539(2)Å c=10.8500(4)Å
α=62.2233(10)° β=82.4797(10)° γ=69.1050(14)°
4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione
C22H25N3O12
Acta Crystallographica Section C (2001) 57, 2 222-224
a=30.594(6)Å b=10.285(2)Å c=7.4740(10)Å
α=90.00° β=91.07(3)° γ=90.00°
4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine
C15H21N5O2
Acta Crystallographica Section C (2001) 57, 2 178-179
a=29.207(2)Å b=6.5860(4)Å c=7.4782(4)Å
α=90° β=90° γ=90°
4',4'-Dimethyl-2-methylsulfanyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine- 6-spiro-1'-cyclohexane-2',4,6'-trione
C15H19N3O3S
Acta Crystallographica Section C (2004) 60, 6 o438-o443
a=7.8990(3)Å b=10.0386(3)Å c=10.0500(3)Å
α=74.938(2)° β=84.271(2)° γ=81.842(2)°
8-Ethoxymethyl-4',4'-dimethyl-2-methoxy-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione
C18H25N3O5
Acta Crystallographica Section C (2004) 60, 6 o438-o443
a=8.9219(5)Å b=9.9806(5)Å c=11.3542(7)Å
α=75.662(3)° β=85.580(3)° γ=66.526(3)°
8-Hydroxymethyl-4',4'-dimethyl-2-methylsulfanyl-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione
C16H21N3O4S
Acta Crystallographica Section C (2004) 60, 6 o438-o443
a=6.6682(2)Å b=11.0319(3)Å c=12.3449(4)Å
α=109.2678(18)° β=99.8329(18)° γ=101.227(2)°
4,6-Dimethoxy-2-phthalimidopyrimidine
C14H11N3O4
Acta Crystallographica Section C (2008) 64, 7 o392-o394
a=7.2904(8)Å b=13.896(2)Å c=12.5021(11)Å
α=90.00° β=96.476(7)° γ=90.00°
2-Amino-4-chloro-6-[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine
C12H13ClN4
Acta Crystallographica Section C (2008) 64, 7 o376-o378
a=9.8184(5)Å b=7.8683(7)Å c=15.5719(16)Å
α=90.00° β=100.309(7)° γ=90.00°
2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-D-xylopyranosylamino)- 1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate
C18H23N3O10,0.065(H2O)
Acta Crystallographica Section C (2009) 65, 7 o321-o325
a=14.3816(2)Å b=14.7626(2)Å c=20.1025(3)Å
α=90.00° β=90.00° γ=90.00°
1,6-dihydropyrimidine-5-carbaldehyde
C17H21N3O9S
Acta Crystallographica Section C (2009) 65, 7 o321-o325
a=6.92940(10)Å b=10.7415(2)Å c=26.4825(5)Å
α=90.00° β=90.00° γ=90.00°
Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D- glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate
C25H29N3O13S
Acta Crystallographica Section C (2000) 56, 11 e526-e527
a=10.1696(9)Å b=6.9695(7)Å c=21.526(2)Å
α=90.00° β=92.036(5)° γ=90.00°
1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
C17H15NO3
Acta Crystallographica Section C (2004) 60, 10 o744-o750
a=10.530(5)Å b=7.362(5)Å c=17.546(5)Å
α=90.000° β=91.719(5)° γ=90.000°
1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, monoclinic polymorph
C17H15NO4
Acta Crystallographica Section C (2004) 60, 10 o744-o750
a=17.5560(4)Å b=5.0914(2)Å c=15.4869(4)Å
α=90.00° β=91.9240(16)° γ=90.00°
1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, triclinic polymorph
C17H15NO4
Acta Crystallographica Section C (2004) 60, 10 o744-o750
a=9.5352(2)Å b=10.6193(3)Å c=14.7611(4)Å
α=89.1400(14)° β=81.0970(17)° γ=75.7540(14)°