Information card for entry 2012099

Structure parameters

• Formula: C20 H17 Cl N2 O3
• Calculated formula: C20 H17 Cl N2 O3
• SMILES: O1C(=CC(=O)N2CC(=O)N(C)c3ccc(cc3C12c1ccccc1)Cl)C
• Title of publication: Ketazolam
• Authors of publication: Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 848 - 850
• a: 8.6326 ± 0.0009 Å
• b: 13.119 ± 0.001 Å
• c: 15.505 ± 0.004 Å
• α: 90°
• β: 96.19 ± 0.01°
• γ: 90°
• Cell volume: 1745.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes