Information card for entry 8100935

Structure parameters

• Formula: C19 H20 N4 O
• Calculated formula: C19 H20 N4 O
• SMILES: N1=C(C)C(C(=O)N1c1ccccc1)=C(Nc1c(N)cccc1)CC
• Title of publication: Crystal structure of 1-(4-propanoyl-2,4-dihydro-5-methyl-2-phenyl- 3H-pyrazol-3-oneimine)-2-aminobenzene, C~19~H~20~N~4~O, and of 1- (4-butanoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneimine)-2- aminobenzene, C~20~H~22~N~4~O
• Authors of publication: Uzoukwu, Bieluonwu A.; Gloe, Karsten; Duddeck, Helmut; Rademacher, Otto
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 251 - 254
• a: 9.2282 ± 0.0014 Å
• b: 9.3599 ± 0.0008 Å
• c: 19.781 ± 0.003 Å
• α: 90 ± 0.009°
• β: 100.69 ± 0.015°
• γ: 90 ± 0.014°
• Cell volume: 1679 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No