Information card for entry 2232275

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-2-oxoethyl 4-hydroxybenzoate
• Formula: C15 H11 Br O4
• Calculated formula: C15 H11 Br O4
• SMILES: Brc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
• Title of publication: 2-(4-Bromophenyl)-2-oxoethyl 4-hydroxybenzoate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayana, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2854
• a: 6.2917 ± 0.0002 Å
• b: 7.7893 ± 0.0002 Å
• c: 26.7497 ± 0.0008 Å
• α: 90°
• β: 98.234 ± 0.002°
• γ: 90°
• Cell volume: 1297.43 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0505
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes