Information card for entry 2231810

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate
• Formula: C15 H11 Cl O4
• Calculated formula: C15 H11 Cl O4
• SMILES: Clc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
• Title of publication: 2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Shivananda, Kammasandra N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2682
• a: 5.5307 ± 0.001 Å
• b: 8.1324 ± 0.0015 Å
• c: 14.857 ± 0.002 Å
• α: 90°
• β: 95.12 ± 0.004°
• γ: 90°
• Cell volume: 665.57 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes