Information card for entry 4500467

Structure parameters

• Common name: Temazepam
• Chemical name: 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
• Formula: C16 H13 Cl N2 O2
• Calculated formula: C16 H13 Cl N2 O2
• SMILES: N1(C(=O)C(N=C(c2cc(ccc12)Cl)c1ccccc1)O)C
• Title of publication: Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug
• Authors of publication: Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2039
• a: 13.144 ± 0.003 Å
• b: 13.454 ± 0.003 Å
• c: 31.573 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5583 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No