Information card for entry 8101050

Structure parameters

• Formula: C18 H17 N5
• Calculated formula: C18 H17 N5
• SMILES: c1(nnc2CC(=Nc3ccccc3n12)N(C)C)c1ccccc1
• Title of publication: Crystal structure of N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]- benzodiazepin-5-amine, C~18H~17N~5~
• Authors of publication: Borassi, A.; Di Braccio, M.; Grossi, G. C.; Izzo, G.; Mugnoli, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 474 - 476
• a: 8.769 ± 0.005 Å
• b: 9.5 ± 0.003 Å
• c: 18.916 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1575.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No