Information card for entry 2230679

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-2-oxoethyl benzoate
• Formula: C15 H11 Cl O3
• Calculated formula: C15 H11 Cl O3
• SMILES: Clc1ccc(cc1)C(=O)COC(=O)c1ccccc1
• Title of publication: 2-(4-Chlorophenyl)-2-oxoethyl benzoate
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Satyganarayan, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1802
• a: 8.1955 ± 0.0009 Å
• b: 10.8717 ± 0.0012 Å
• c: 16.542 ± 0.0015 Å
• α: 90°
• β: 117.816 ± 0.004°
• γ: 90°
• Cell volume: 1303.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes