Information card for entry 2232735

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate
• Formula: C16 H12 Cl2 O4
• Calculated formula: C16 H12 Cl2 O4
• SMILES: Clc1cc(Cl)ccc1C(=O)COC(=O)c1ccc(OC)cc1
• Title of publication: 2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Shenvi, Seema; Isloor, Arun M.; Garudachari, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3379
• a: 9.0508 ± 0.0001 Å
• b: 7.0846 ± 0.0001 Å
• c: 23.3337 ± 0.0003 Å
• α: 90°
• β: 102.509 ± 0.001°
• γ: 90°
• Cell volume: 1460.67 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0571
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes