Information card for entry 8101254

Structure parameters

• Common name: 1,5-benzodiazepine
• Formula: C16 H11 Cl3 N2
• Calculated formula: C16 H11 Cl3 N2
• Title of publication: Crystal structure of 2-trichloromethyl-4-phenyl-3<i>H</i>-1,5-benzodiazepine, C~16~H~11~Cl~3~N~2~
• Authors of publication: Schulz Lang, Ernesto; Gauze Bonacorso, Helio; Bittencourt, Sandra R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 2
• Pages of publication: 242 - 244
• a: 16.631 ± 0.004 Å
• b: 16.322 ± 0.003 Å
• c: 17.405 ± 0.006 Å
• α: 90°
• β: 102.24 ± 0.03°
• γ: 90°
• Cell volume: 4617 ± 2 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: Yes
• Has Fobs: No