Information card for entry 2009353

Structure parameters

• Common name: Alprozolam dihydrate
• Chemical name: 8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate
• Formula: C17 H17 Cl N4 O2
• Calculated formula: C17 H14.75 Cl N4 O2
• Title of publication: 8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate
• Authors of publication: Daniel R. Vega; Ricardo Baggio; Silvia Russi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2094 - 2096
• a: 8.5705 ± 0.0017 Å
• b: 13.657 ± 0.003 Å
• c: 14.895 ± 0.003 Å
• α: 84.26 ± 0.03°
• β: 81.95 ± 0.03°
• γ: 87.11 ± 0.03°
• Cell volume: 1716.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No