Information card for entry 2227782

Structure parameters

• Common name: Phenazepam, β-polymorph
• Chemical name: 7-Bromo-5-(2-chlorophenyl)-1<i>H</i>-1,4-benzodiazepin-2(3<i>H</i>)-one
• Formula: C15 H10 Br Cl N2 O
• Calculated formula: C15 H10 Br Cl N2 O
• SMILES: Brc1ccc2c(c1)C(=NCC(=O)N2)c1ccccc1Cl
• Title of publication: β-Polymorph of phenazepam: a powder study
• Authors of publication: Sergeev, Gleb B.; Sergeev, Boris M.; Morosov, Yurii N.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2623
• a: 14.8006 ± 0.0019 Å
• b: 11.6756 ± 0.0014 Å
• c: 8.4769 ± 0.0009 Å
• α: 90°
• β: 93.679 ± 0.017°
• γ: 90°
• Cell volume: 1461.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.5
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No