Information card for entry 2212894

Structure parameters

• Chemical name: 5'-Bromo-2'-hydroxyacetophenone
• Formula: C8 H7 Br O2
• Calculated formula: C8 H7 Br O2
• SMILES: Brc1ccc(O)c(c1)C(=O)C
• Title of publication: 5'-Bromo-2'-hydroxyacetophenone
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1805 - o1806
• a: 7.1098 ± 0.0001 Å
• b: 7.7472 ± 0.0001 Å
• c: 7.8345 ± 0.0001 Å
• α: 90.655 ± 0.001°
• β: 106.038 ± 0.001°
• γ: 110.69 ± 0.001°
• Cell volume: 385.124 ± 0.01 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes