Information card for entry 2234223

Structure parameters

• Chemical name: 7-chloro-2-methylamino-5-phenyl-3<i>H</i>-1,4-benzodiazepine 4-oxide dichloromethane monosolvate
• Formula: C17 H16 Cl3 N3 O
• Calculated formula: C17 H16 Cl3 N3 O
• SMILES: c1c(ccc2c1C(c1ccccc1)=N(CC(=N2)NC)=O)Cl.C(Cl)Cl
• Title of publication: Chlordiazepoxide dichloromethane monosolvate
• Authors of publication: Fischer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1011
• a: 7.831 ± 0.0012 Å
• b: 9.461 ± 0.002 Å
• c: 12.6947 ± 0.0005 Å
• α: 94.284 ± 0.011°
• β: 93.821 ± 0.009°
• γ: 108.499 ± 0.013°
• Cell volume: 885.4 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes