Information card for entry 2223781

Structure parameters

• Chemical name: 2-Bromo-1-(4-hydroxyphenyl)ethanone
• Formula: C8 H7 Br O2
• Calculated formula: C8 H7 Br O2
• SMILES: BrCC(=O)c1ccc(cc1)O
• Title of publication: 2-Bromo-1-(4-hydroxyphenyl)ethanone
• Authors of publication: Qing, Wei-Xia; Zhang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2837
• a: 8.6495 ± 0.0015 Å
• b: 15.052 ± 0.003 Å
• c: 14.3562 ± 0.0019 Å
• α: 90°
• β: 123.224 ± 0.007°
• γ: 90°
• Cell volume: 1563.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes