Structures by: Babu N. J.
Total: 58
3,3'-Bipyrrole ester
C28H28N2O4
Organic letters (2008) 10, 7 1373-1376
a=9.465(8)Å b=12.243(10)Å c=12.556(10)Å
α=116.306(13)° β=91.069(15)° γ=104.607(14)°
1:1 complex of barbituric acid and quinoxaline-N,N'-oxide
C8H6N2O2,C4H4N2O3
Molecular Pharmaceutics (2007) 4, 3 417
a=10.3850(9)Å b=7.2222(6)Å c=16.3763(14)Å
α=90.00° β=93.6860(10)° γ=90.00°
1:2 Cocrystal of Barbituric acid and 4-methylpyridine N-oxide
2(C6H7NO),C4H4N2O3
Molecular Pharmaceutics (2007) 4, 3 417
a=8.4083(7)Å b=9.8893(9)Å c=10.6761(9)Å
α=73.2010(10)° β=79.022(2)° γ=74.182(2)°
2:1 Cocrystal of Barbituric acid and 4,4'pyrazine-N,N'-dioxide
C4H4N2O3,0.5(C4H4N2O2)
Molecular Pharmaceutics (2007) 4, 3 417
a=5.258(3)Å b=6.478(3)Å c=22.118(11)Å
α=90.00° β=95.795(8)° γ=90.00°
1:1 complex of saccharin and bipyridine-N,N'-oxide
C10H8N2O2,2(C7H5NO3S)
Molecular Pharmaceutics (2007) 4, 3 417
a=6.5207(4)Å b=14.0377(9)Å c=13.1232(9)Å
α=90.00° β=104.2800(10)° γ=90.00°
2:1 cocrystal of 4-methylpyridine-N-oxide and barbital
C8H12N2O3,C5H5NO
Molecular Pharmaceutics (2007) 4, 3 417
a=7.2276(5)Å b=19.5811(12)Å c=9.9928(6)Å
α=90.00° β=98.1360(10)° γ=90.00°
1:1 cocrystal of 4-hydroxybenzamide and bipyridine-N,N'-dioxide
C10H8N2O2,2(C7H7NO2)
Molecular Pharmaceutics (2007) 4, 3 417
a=5.692(4)Å b=9.482(6)Å c=10.751(7)Å
α=69.893(10)° β=84.232(10)° γ=84.969(10)°
Hydrate of 1:1 cocrystal of 4-hydroxy benzamide and pyrazine-4,4'-dioxide
C7H7NO2,0.5(C4H4N2O2),H2O
Molecular Pharmaceutics (2007) 4, 3 417
a=6.409(4)Å b=7.372(4)Å c=11.064(6)Å
α=96.127(14)° β=97.22(3)° γ=105.350(9)°
2:4 Cocrystal of Barbital acid and 4-methylpyridine N-oxide
C8H12N2O3,2(C6H7NO)
Molecular Pharmaceutics (2007) 4, 3 417
a=8.2106(5)Å b=23.9166(15)Å c=20.6318(13)Å
α=90.00° β=96.6700(10)° γ=90.00°
1:0.5 cocrystal of Carbamazepine and Quinoxaline-N,N'-dioxide
C15H12N2O,C8H6N2O2
Molecular Pharmaceutics (2007) 4, 3 417
a=7.284(2)Å b=10.688(4)Å c=14.132(5)Å
α=100.250(5)° β=102.463(5)° γ=109.079(5)°
1:0.5 cocrystal of Carbamazepine and pyrazine-N,N'-dioxide
C15H12N2O,0.5(C4H4N2O2)
Molecular Pharmaceutics (2007) 4, 3 417
a=10.237(4)Å b=27.247(12)Å c=5.135(2)Å
α=90.00° β=102.708(7)° γ=90.00°
N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide
C21H20F3NO2
Organic & biomolecular chemistry (2015) 13, 19 5532-5536
a=16.9345(13)Å b=22.9721(13)Å c=10.3059(7)Å
α=90.00° β=108.212(2)° γ=90.00°
Cyclo(Phe-Pro-Leu-Aha)
C26H38N4O4,3(H2O)
CrystEngComm (2007) 9, 10 860
a=9.4493(16)Å b=14.125(2)Å c=21.736(4)Å
α=90.00° β=90.00° γ=90.00°
Pyrazine-N,N'-dioxide
C2H2NO,0.5(C4H4N2O2)
CrystEngComm (2007) 9, 11 980
a=11.8672(18)Å b=12.2217(19)Å c=6.4287(10)Å
α=90.00° β=90.00° γ=90.00°
Pyrazine-N,N'-dioxide
C4H4N2O2
CrystEngComm (2007) 9, 11 980
a=3.7239(13)Å b=11.010(4)Å c=5.683(2)Å
α=90.00° β=96.237(5)° γ=90.00°
C26H38N4O4
C26H38N4O4
CrystEngComm (2007) 9, 10 860
a=11.292(6)Å b=15.112(10)Å c=15.805(12)Å
α=90° β=90° γ=90°
Hydrate of 1:1 cocrystal of Temozolomide and Formic acid
2(C6H6N6O2),CH4O3
CrystEngComm (2013) 15, 4 666
a=8.173(12)Å b=11.626(17)Å c=11.735(17)Å
α=64.73(2)° β=74.09(3)° γ=89.31(3)°
C6H7N6O2,C6H6N6O2,2(Cl),H3O,3(H2O
C6H7N6O2,C6H6N6O2,2(Cl),H3O,3(H2O
CrystEngComm (2013) 15, 4 666
a=6.453(15)Å b=10.37(2)Å c=17.84(4)Å
α=97.80(4)° β=90.44(4)° γ=98.27(4)°
DMSO solvate of N-(4-iodophenyl)-N'-(4'-nitrophenyl)-urea
C13H10IN3O3,C2H6SO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=10.184(2)Å b=13.346(3)Å c=15.502(3)Å
α=66.82(3)° β=88.22(3)° γ=68.75(3)°
Methylpyrazine dicarboxylic acid
C7H6N2O4
Crystal Growth & Design (2006) 6, 9 1995
a=13.6919(16)Å b=13.6919(16)Å c=21.789(5)Å
α=90.00° β=90.00° γ=120.00°
Methylpyrazine dicarboxylic acid
C7H6N2O4
Crystal Growth & Design (2006) 6, 9 1995
a=13.6937(7)Å b=13.6937(7)Å c=21.345(2)Å
α=90.00° β=90.00° γ=120.00°
Methylpyrazine dicarboxylic acid
C7H6N2O4
Crystal Growth & Design (2006) 6, 9 1995
a=13.6974(6)Å b=13.6974(6)Å c=21.3258(17)Å
α=90.00° β=90.00° γ=120.00°
C13H10FN3O3
C13H10FN3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=8.1241(8)Å b=12.9932(12)Å c=11.6524(11)Å
α=90.00° β=94.967(2)° γ=90.00°
C14H10N4O3
C14H10N4O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=7.919(4)Å b=13.692(6)Å c=11.777(6)Å
α=90.00° β=94.517(10)° γ=90.00°
N-(3-bromophenyl)-N'-(4-nitrophenyl)urea
C13H10BrN3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=8.4078(9)Å b=12.7289(13)Å c=12.3376(13)Å
α=90.00° β=97.552(2)° γ=90.00°
C13H11N3O3,C3H7NO
C13H11N3O3,C3H7NO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=9.4442(19)Å b=7.3883(15)Å c=23.863(5)Å
α=90.00° β=97.73(3)° γ=90.00°
C14H13N3O3
C14H13N3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=6.8807(5)Å b=12.7415(10)Å c=15.2876(11)Å
α=84.9720(10)° β=81.1590(10)° γ=80.6540(10)°
DMF solvate of N-(4-cyanophenyl)-N'-(4-nitrophenyl)urea
C14H10N4O3,C3H7NO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=7.9488(7)Å b=10.4797(9)Å c=11.9563(10)Å
α=114.6710(10)° β=95.441(2)° γ=101.2000(10)°
DMSO solvate of N-(4-iodophenyl)-N'-(4'-nitrophenyl)-urea
C13H10IN3O3,C2H6SO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=10.184(2)Å b=13.346(3)Å c=15.502(3)Å
α=66.82(3)° β=88.22(3)° γ=68.75(3)°
DMSO solvate of N-(4-nitropheny)-N'-(4-carboxamidophenyl)-urea
C14H12N4O4,C2H6SO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=8.4835(13)Å b=9.5690(14)Å c=11.8457(18)Å
α=105.069(3)° β=103.506(3)° γ=98.203(3)°
C14H13N3O3,C2H6OS
C14H13N3O3,C2H6OS
Crystal Growth & Design (2007) 7, 12 2675-2690
a=16.0665(10)Å b=5.7448(4)Å c=39.100(3)Å
α=90.00° β=100.115(2)° γ=90.00°
C13H9F2N3O3,C2H6OS
C13H9F2N3O3,C2H6OS
Crystal Growth & Design (2007) 7, 12 2675-2690
a=9.1958(10)Å b=9.5491(10)Å c=10.5716(11)Å
α=69.9990(10)° β=79.3480(10)° γ=69.5910(10)°
Hydrate of N-(4-nitropheny)-N'-(3-hydroxyphenyl)-urea
C13H11N3O4,H2O
Crystal Growth & Design (2007) 7, 12 2675-2690
a=6.7307(10)Å b=10.2019(15)Å c=10.2840(15)Å
α=77.995(3)° β=84.110(3)° γ=75.686(3)°
N-(4'-iodobiphenyl)-4'-(nitrophenyl)-urea
C19H14IN3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=14.3837(15)Å b=9.3167(10)Å c=13.3889(14)Å
α=90.00° β=104.847(2)° γ=90.00°
C14H13N3O3
C14H13N3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=9.851(3)Å b=56.994(18)Å c=9.211(3)Å
α=90.00° β=90.00° γ=90.00°
8(C16H18FN3O3),8(H2O),O
8(C16H18FN3O3),8(H2O),O
Crystal Growth & Design (2008) 8, 12 4343
a=17.4911(16)Å b=8.9542(8)Å c=19.7990(18)Å
α=90.00° β=90.255(2)° γ=90.00°
C16H18FN3O3.13,H2O
C16H18FN3O3.13,H2O
Crystal Growth & Design (2008) 8, 12 4343
a=8.7445(8)Å b=8.9531(8)Å c=19.7977(19)Å
α=90.00° β=90.256(2)° γ=90.00°
2(C16H18FN3O3),2.5H2O
2(C16H18FN3O3),2.5H2O
Crystal Growth & Design (2008) 8, 12 4343
a=17.5341(11)Å b=8.9942(6)Å c=19.9186(13)Å
α=90.00° β=90.4110(10)° γ=90.00°
C16H14ClN3O4S
C16H14ClN3O4S
Crystal Growth & Design (2011) 11, 5 1930
a=7.8871(5)Å b=7.8871(5)Å c=51.100(7)Å
α=90.00° β=90.00° γ=90.00°
C22H20Br2N4O6S2
C22H20Br2N4O6S2
Crystal Growth & Design (2011) 11, 5 1930
a=8.181(3)Å b=8.421(3)Å c=10.250(4)Å
α=98.774(6)° β=95.521(6)° γ=114.520(6)°
C24H26N4O8S2
C24H26N4O8S2
Crystal Growth & Design (2011) 11, 5 1930
a=8.7426(8)Å b=5.2061(5)Å c=27.7269(19)Å
α=90.00° β=102.935(2)° γ=90.00°
C18H17ClN4O7S
C18H17ClN4O7S
Crystal Growth & Design (2011) 11, 5 1930
a=5.2214(4)Å b=9.5860(8)Å c=20.1540(17)Å
α=85.2220(10)° β=88.7590(10)° γ=74.8260(10)°
C24H26N4O6S2
C24H26N4O6S2
Crystal Growth & Design (2011) 11, 5 1930
a=10.3170(9)Å b=12.3913(10)Å c=20.0553(17)Å
α=90.00° β=103.7280(10)° γ=90.00°
C22H19ClN4O7.5S
C22H19ClN4O7.5S
Crystal Growth & Design (2011) 11, 5 1930
a=8.0230(6)Å b=8.3201(6)Å c=17.5479(12)Å
α=77.7340(10)° β=77.5200(10)° γ=81.2860(10)°
1:1 cocrystal of Temozolomide and Caffeine
C6H6N6O2,C8H10N4O2
Crystal Growth & Design (2013) 13, 5 2208
a=8.698(3)Å b=9.187(3)Å c=12.231(4)Å
α=73.87(3)° β=87.42(3)° γ=64.52(3)°
2:1 cocrystal of Temozolomide and NIcotinamide
2(C6H6N6O2),C6H6N2O
Crystal Growth & Design (2013) 13, 5 2208
a=12.4071(11)Å b=6.6310(6)Å c=26.504(2)Å
α=90.00° β=92.910(2)° γ=90.00°
2:1 cocrystal of Temozolomide and Isonicotinamide
2(C6H6N6O2),C6H6N2O
Crystal Growth & Design (2013) 13, 5 2208
a=9.645(3)Å b=10.609(3)Å c=10.925(3)Å
α=87.125(5)° β=75.546(4)° γ=87.003(4)°
2:1 cocrystal of Temozolomide and 4-hydroxybenzamide
2(C6H6N6O2),C7H7NO2
Crystal Growth & Design (2013) 13, 5 2208
a=9.834(3)Å b=10.797(3)Å c=11.809(3)Å
α=107.047(4)° β=101.419(4)° γ=101.835(4)°
1:1 cocrystal of Temozolomide and Pyrazinamide
C6H6N6O2,C5H5N3O
Crystal Growth & Design (2013) 13, 5 2208
a=8.5570(11)Å b=9.2537(12)Å c=10.3924(14)Å
α=68.398(2)° β=89.951(2)° γ=63.129(2)°
2:1 cocrystal of Temozolomide and 4-hydroxybenzaamide
2(C6H6N6O2),C7H7NO2
Crystal Growth & Design (2013) 13, 5 2208
a=6.9091(17)Å b=12.3493(19)Å c=14.141(2)Å
α=106.389(13)° β=92.948(16)° γ=100.942(17)°
2:1 cocrystal of Temzolomide and Saccharin
2(C6H6N6O2),C7H5NO3S
Crystal Growth & Design (2013) 13, 5 2208
a=6.521(3)Å b=8.064(4)Å c=11.952(5)Å
α=76.591(7)° β=75.856(7)° γ=87.095(7)°
Pyridine-2,3,5,6-tetracarboxylic acid
C9H5NO8,2(H2O)
Crystal Growth & Design (2006) 6, 8 1753
a=5.5311(6)Å b=6.2566(7)Å c=9.0041(10)Å
α=70.187(2)° β=76.251(2)° γ=72.714(2)°
Pyridine-2,3,5,6-tetracarboxylic acid
C9H5NO8,2(H2O)
Crystal Growth & Design (2006) 6, 8 1753
a=5.5412(11)Å b=6.3763(13)Å c=9.0710(18)Å
α=110.23(3)° β=91.99(3)° γ=106.39(3)°
Pyridine-2,4,6-tricarboxylic acid
C8H5NO6,2(H2O)
Crystal Growth & Design (2006) 6, 8 1753
a=5.9452(12)Å b=9.4204(19)Å c=18.370(4)Å
α=90.00° β=90.00° γ=90.00°
C13H10IN3O3
C13H10IN3O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=8.4419(17)Å b=12.987(3)Å c=12.399(3)Å
α=90.00° β=96.59(3)° γ=90.00°
N-(4-carboxamidophenyl)-N'-(nitrophenyl)urea.DMF
C14H12N4O4,C3H7NO
Crystal Growth & Design (2007) 7, 12 2675-2690
a=7.4728(10)Å b=10.2624(14)Å c=12.5410(17)Å
α=105.841(2)° β=104.695(3)° γ=95.110(3)°
C15H13N3O4,C2H6OS
C15H13N3O4,C2H6OS
Crystal Growth & Design (2007) 7, 12 2675-2690
a=6.0509(6)Å b=12.4575(12)Å c=12.5937(11)Å
α=78.120(2)° β=82.891(2)° γ=80.105(2)°
C15H16N4O3
C15H16N4O3
Crystal Growth & Design (2007) 7, 12 2675-2690
a=6.0710(12)Å b=7.5613(15)Å c=31.715(6)Å
α=89.95(3)° β=87.01(3)° γ=85.23(3)°