Structures by: Nogueras M.
Total: 159
1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
C17H12F3NO3
Acta Crystallographica Section C (2004) 60, 10 o744-o750
a=7.3420(2)Å b=10.9241(3)Å c=18.7176(5)Å
α=85.0180(11)° β=83.2280(14)° γ=75.8180(14)°
2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one
C16H12BrN3O
Acta Crystallographica Section C (2002) 58, 2 o125-o128
a=6.8807(2)Å b=16.2254(6)Å c=13.3379(5)Å
α=90° β=111.280(2)° γ=90°
3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine
C19H18N4
Acta Crystallographica Section C (2002) 58, 2 o103-o105
a=30.5212(7)Å b=30.5212(7)Å c=8.8689(2)Å
α=90.00° β=90.00° γ=120.00°
5-(4-Chlorophenyl)-3-methyl-1-phenyl-1,6,7,8- tetrahydropyrazolo[3,4-b][1,4]diazepine
C19H17ClN4
Acta Crystallographica Section C (2002) 58, 2 o103-o105
a=9.0066(18)Å b=17.969(4)Å c=18.007(4)Å
α=115.73(3)° β=101.02(3)° γ=98.83(3)°
4-(4-Methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one
C17H15N3O
Acta Crystallographica Section C (2002) 58, 2 o125-o128
a=8.1360(3)Å b=9.8647(4)Å c=10.0975(5)Å
α=114.8796(13)° β=94.9156(15)° γ=100.966(3)°
3-methyl-1,4-diphenyl-1H-pyrazolo-(3,4-b)pyridine
C19H15N3
Acta Crystallographica Section C (2002) 58, 5 o298-o300
a=8.1392(4)Å b=8.4351(4)Å c=11.3852(6)Å
α=77.951(3)° β=81.192(2)° γ=70.681(2)°
Ethyl N-[2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl]glycinate
C22H23N5O4
Acta Crystallographica Section C (2002) 58, 7 o425-o427
a=15.2278(8)Å b=15.8992(5)Å c=8.5558(3)Å
α=90.00° β=97.5860(11)° γ=90.00°
4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine
C14H15N5O2
Acta Crystallographica Section C (2002) 58, 7 o442-o444
a=8.0338(6)Å b=24.627(2)Å c=7.4087(5)Å
α=90.00° β=106.872(2)° γ=90.00°
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile
C18H17ClN2O2
Acta Crystallographica Section C (2003) 59, 1 o38-o39
a=9.3867(3)Å b=16.5328(5)Å c=11.3189(3)Å
α=90° β=118.118(2)° γ=90°
6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitroso-pyrimidin-4(3H)-one
C14H17N5O4
Acta Crystallographica Section C (2003) 59, 5 o237-o239
a=12.8488(10)Å b=7.4416(10)Å c=16.962(2)Å
α=90.00° β=113.728(8)° γ=90.00°
N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide
C6H7N3O3
Acta Crystallographica Section C (2006) 62, 5 o256-o258
a=7.0515(7)Å b=9.0031(12)Å c=11.237(2)Å
α=90.00° β=93.690(11)° γ=90.00°
6-amino-5-formyl-1,3-dimethyluracil monohydrate
C7H9N3O3,H2O
Acta Crystallographica Section C (2007) 63, 11 o638-o640
a=15.5815(4)Å b=7.4458(4)Å c=16.8575(8)Å
α=90.00° β=116.408(4)° γ=90.00°
2-Amino-4-methoxy-6-(4-methoxyphenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine
C19H17N5O2
Acta Crystallographica Section C (2008) 64, 12 o643-o648
a=7.6718(18)Å b=13.2928(15)Å c=15.969(2)Å
α=90.00° β=95.343(12)° γ=90.00°
2-Amino-4-methoxy-6-phenyl-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepine
C18H15N5O
Acta Crystallographica Section C (2008) 64, 12 o643-o648
a=7.022(6)Å b=12.855(9)Å c=16.199(8)Å
α=90.00° β=93.851(5)° γ=90.00°
(1RS,2SR,3RS,5SR)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol
C33H26N2O2
Acta Crystallographica Section C (2008) 64, 10 o578-o582
a=10.9251(18)Å b=11.777(3)Å c=11.9438(12)Å
α=90.417(13)° β=112.616(9)° γ=112.750(14)°
2-Amino-4-methoxy-6-(2-fluorophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine
C18H14FN5O
Acta Crystallographica Section C (2008) 64, 12 o643-o648
a=6.9115(10)Å b=12.8801(14)Å c=16.560(2)Å
α=90.00° β=95.110(10)° γ=90.00°
2-Amino-4-methoxy-6-(3-nitrophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine
C18H14N6O3
Acta Crystallographica Section C (2008) 64, 12 o643-o648
a=7.047(4)Å b=13.502(7)Å c=16.418(5)Å
α=90.00° β=91.22(5)° γ=90.00°
1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
C19H19NO6
Acta Crystallographica Section C (2002) 58, 1 o42-o45
a=23.5477(4)Å b=4.96050(10)Å c=14.2556(8)Å
α=90° β=100.7020(10)° γ=90°
1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one
C18H18N2O3
Acta Crystallographica Section C (2002) 58, 1 o42-o45
a=9.5849(2)Å b=12.3218(4)Å c=13.3304(4)Å
α=83.4617(14)° β=80.2411(17)° γ=85.7271(16)°
5-(3-(4-methylphenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione
C16H16O4
Acta Crystallographica Section C (2002) 58, 1 o39-o41
a=11.2891(3)Å b=11.4128(4)Å c=13.4504(5)Å
α=91.217(2)° β=114.640(3)° γ=113.7590(15)°
5-(3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione
C15H13ClO4
Acta Crystallographica Section C (2002) 58, 1 o39-o41
a=7.2648(2)Å b=7.4705(3)Å c=13.5855(6)Å
α=90.1799(13)° β=99.8452(14)° γ=109.576(3)°
4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9- tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one-ethanol (1/1)
C28H27ClN4O4,C2H6O
Acta Crystallographica Section C (2001) 57, 11 1356-1358
a=23.6298(6)Å b=9.6215(3)Å c=14.2657(4)Å
α=90° β=120.2930(16)° γ=90°
2-amino-6-[methyl(phenyl)amino]-5-[(E)-4-nitrobenzylideneamino]pyrimidin- 4(3<i>H</i>)-one dimethyl sulfoxide solvate
C18H16N6O3,C2H6OS
Acta Crystallographica Section C (2009) 65, 3 o111-o114
a=10.2601(8)Å b=10.4555(6)Å c=11.4537(14)Å
α=113.230(7)° β=112.295(8)° γ=96.709(8)°
2-amino-6-anilino-4-methoxy-5-[(E)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate
C18H16N6O3,C2H6OS
Acta Crystallographica Section C (2009) 65, 3 o111-o114
a=8.0386(8)Å b=10.6862(14)Å c=12.8856(13)Å
α=71.007(11)° β=74.463(9)° γ=88.672(12)°
2-Amino-3-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3<i>H</i>)-one
C12H13N5O3
Acta Crystallographica Section C (2009) 65, 9 o441-o443
a=9.158(2)Å b=12.178(3)Å c=11.103(2)Å
α=90.00° β=105.207(18)° γ=90.00°
5-Nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine
C16H13N5O2
Acta Crystallographica Section C (2009) 65, 9 o438-o440
a=7.9112(11)Å b=5.5582(6)Å c=30.665(3)Å
α=90.00° β=94.541(10)° γ=90.00°
N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide
C13H20N4O8,2H2O1
Acta Crystallographica Section C (2000) 56, 9 e420-e420
a=7.09110(10)Å b=12.2566(2)Å c=20.5272(4)Å
α=90.00° β=90.00° γ=90.00°
Ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate
C13H15N3O2
Acta Crystallographica Section C (2007) 63, 1 o21-o25
a=7.2228(4)Å b=8.4433(3)Å c=10.5938(5)Å
α=98.234(3)° β=107.609(2)° γ=97.907(3)°
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-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate
C12H12N4O4
Acta Crystallographica Section C (2007) 63, 1 o38-o41
a=5.9233(3)Å b=8.8858(6)Å c=11.7819(6)Å
α=85.690(4)° β=83.500(4)° γ=84.015(3)°
Methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate
C13H12N4O2
Acta Crystallographica Section C (2007) 63, 1 o38-o41
a=8.3646(3)Å b=11.5735(6)Å c=12.7953(7)Å
α=88.328(3)° β=88.526(3)° γ=75.362(3)°
1-deoxy-1-morpholino-D-fructopyranose
C10H19NO6
Acta Crystallographica Section C (2007) 63, 9 o507-o509
a=5.2767(8)Å b=5.5375(5)Å c=10.2809(13)Å
α=104.598(10)° β=90.393(12)° γ=104.834(10)°
2-Hydroxyphenyl 2-methylpyrazolo[1,5-a]pyrimidin-6-yl ketone
C14H11N3O2
Acta Crystallographica Section C (2000) 56, 12 1455-1456
a=5.6004(2)Å b=11.8172(5)Å c=17.865(7)Å
α=90.00° β=98.71(16)° γ=90.00°
5,5-dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one
C12H17N3O
Acta Crystallographica Section C (2000) 56, 12 1457-1459
a=12.5130(3)Å b=9.4275(3)Å c=10.6441(3)Å
α=90.00° β=90.00° γ=90.00°
2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole
C25H19NO4S
Acta Crystallographica Section C (2000) 56, 12 1460-1461
a=7.4978(15)Å b=11.265(2)Å c=12.322(3)Å
α=108.12(3)° β=99.38(3)° γ=94.75(3)°
5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine
C9H12N2O3
Acta Crystallographica Section C (2001) 57, 9 1103-1105
a=7.4906(2)Å b=10.2409(2)Å c=13.1449(3)Å
α=104.9607(9)° β=90.7398(9)° γ=101.2452(9)°
2-Phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
C23H21N3
Acta Crystallographica Section C (2002) 58, 5 o305-o310
a=8.5292(12)Å b=10.7291(16)Å c=11.0469(16)Å
α=109.417(2)° β=91.555(3)° γ=110.945(3)°
5-(4-Bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
C22H18BrN3
Acta Crystallographica Section C (2002) 58, 5 o305-o310
a=8.5110(2)Å b=10.7015(3)Å c=11.0357(3)Å
α=110.036(2)° β=92.1613(15)° γ=110.3276(10)°
2-(4-Chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
C22H18ClN3
Acta Crystallographica Section C (2002) 58, 5 o305-o310
a=21.2115(3)Å b=11.1385(2)Å c=17.5948(4)Å
α=90° β=122.4270(10)° γ=90°
C12H12N4O2S
C12H12N4O2S
Acta Crystallographica Section C (2002) 58, 5 o284-o286
a=15.6152(10)Å b=9.1842(6)Å c=17.7920(11)Å
α=90.00° β=90.830(2)° γ=90.00°
2-Amino-4,6-dimethoxypyrimidine
C6H9N3O2
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=12.3971(5)Å b=8.3608(5)Å c=14.5237(7)Å
α=90° β=106.585(3)° γ=90°
2-Benzylamino-4,6-bis(benzyloxy)pyrimidine
C25H23N3O2
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=5.8083(6)Å b=12.3104(13)Å c=15.7260(16)Å
α=68.549(2)° β=85.978(2)° γ=82.737(2)°
2-amino-4,6-bis(N-pyrrolidino)pyrimidine
C12H19N5
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=12.5654(8)Å b=13.2735(8)Å c=14.2279(9)Å
α=90° β=93.090(2)° γ=90°
5-[N-(Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole
C20H22N6
Acta Crystallographica Section C (2002) 58, 6 o314-o317
a=7.2380(5)Å b=11.9743(9)Å c=21.2062(16)Å
α=90.00° β=90.00° γ=90.00°
2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine
C18H16N4O3
Acta Crystallographica Section C (2002) 58, 6 o355-o358
a=11.0731(5)Å b=7.3642(3)Å c=22.9129(11)Å
α=90° β=111.456(2)° γ=90°
5-(4-Bromophenyl)-2-(4-chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c] quinazoline
C22H17BrClN3
Acta Crystallographica Section C (2002) 58, 5 o305-o310
a=5.55600(10)Å b=12.2526(2)Å c=14.0827(3)Å
α=77.9230(9)° β=83.0060(8)° γ=87.8140(10)°
5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline
C21H17N3
Acta Crystallographica Section C (2005) 61, 6 o398-o403
a=7.6223(2)Å b=16.7937(7)Å c=24.4900(9)Å
α=90.00° β=90.00° γ=90.00°
5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline
C22H19N3
Acta Crystallographica Section C (2005) 61, 6 o398-o403
a=7.2767(13)Å b=29.924(6)Å c=8.0463(12)Å
α=90.00° β=112.590(6)° γ=90.00°
7-methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
C21H17N3
Acta Crystallographica Section C (2005) 61, 6 o398-o403
a=8.10920(10)Å b=11.7265(2)Å c=16.3486(3)Å
α=90.00° β=90.9010(12)° γ=90.00°
7-methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
C22H19N3
Acta Crystallographica Section C (2005) 61, 6 o398-o403
a=7.9037(7)Å b=13.1038(10)Å c=16.0576(13)Å
α=90.00° β=99.199(6)° γ=90.00°
2-amino-6-(methylanilino)pyrimidin-4(3H)-one
C11H12N4O
Acta Crystallographica Section C (2007) 63, 12 o697-o700
a=10.6860(12)Å b=7.1647(14)Å c=14.4911(12)Å
α=90.00° β=110.024(9)° γ=90.00°
2-amino-6-(methylanilino)-5-nitropyrimidin-4(3H)-one
C11H11N5O3
Acta Crystallographica Section C (2007) 63, 12 o697-o700
a=8.955(3)Å b=11.2165(15)Å c=11.5670(15)Å
α=90.00° β=90.00° γ=90.00°
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°
Methyl (<i>R</i>)-4-[(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-chloro-4-formyl-10,13-dimethyl-12-oxo-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]pentanoate
C26H37ClO4
Acta Crystallographica Section C (2018) 74, 12
a=7.0444(3)Å b=10.8756(6)Å c=30.4910(14)Å
α=90° β=90° γ=90°
(4-(Pyrrolidin-1-yl)-1/H/-pyrazolo[3,4-/d/]pyrimidin-6-amine) ethanol hemisolvate hemihydrate
2(C9H12N6),C2H6O,H2O
Acta Crystallographica Section B (2008) 64, 5 610-622
a=7.9342(15)Å b=8.9219(19)Å c=16.767(3)Å
α=76.855(16)° β=83.505(14)° γ=88.003(17)°
Dimethyl-2-(6-benzyloxy-2-methylthio-4-pyrimidinyl)imino-3-(triphenyl- λ^5^-phosphanylidene)succinate
C36H32N3O5PS
Acta Crystallographica Section C (1999) 55, 12 IUC9900150
a=10.4027(2)Å b=11.5682(2)Å c=14.9296(3)Å
α=77.0833(13)° β=72.0218(12)° γ=85.2316(11)°
6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent
C19H26N4O11,H2O
Acta Crystallographica Section C (1999) 55, 12 IUC9900164
a=14.3951(11)Å b=8.9771(9)Å c=19.052(2)Å
α=90.00° β=90.00° γ=90.00°
2-amino-4,5-dicarbomethoxy-6-methylthiopyridine
C10H12N2O4S
Acta Crystallographica Section C (1996) 52, 1 143-145
a=8.0720(10)Å b=8.6448(14)Å c=8.990(2)Å
α=94.35(2)° β=111.133(13)° γ=91.703(13)°
Methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate
C15H19N3O2
Acta Crystallographica Section C (2007) 63, 1 o21-o25
a=6.1272(2)Å b=11.6374(3)Å c=20.3182(7)Å
α=90.00° β=98.629(2)° γ=90.00°