Information card for entry 2219482

Structure parameters

• Chemical name: (5-Bromo-2-hydroxyphenyl)(phenyl)methanone
• Formula: C13 H9 Br O2
• Calculated formula: C13 H9 Br O2
• SMILES: Brc1ccc(O)c(C(=O)c2ccccc2)c1
• Title of publication: (5-Bromo-2-hydroxyphenyl)(phenyl)methanone
• Authors of publication: Yang, Feng-Ke; Ding, Yi-Ning; Cheng, Wei; Xu, Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1873
• a: 15.938 ± 0.003 Å
• b: 5.8929 ± 0.0012 Å
• c: 12.111 ± 0.002 Å
• α: 90°
• β: 106.15 ± 0.03°
• γ: 90°
• Cell volume: 1092.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes