Information card for entry 2232724

Structure parameters

• Chemical name: 2-(4-Chloroanilino)-1-(4-chlorophenyl)ethanone
• Formula: C14 H11 Cl2 N O
• Calculated formula: C14 H11 Cl2 N O
• SMILES: Clc1ccc(NCC(=O)c2ccc(Cl)cc2)cc1
• Title of publication: 2-(4-Chloroanilino)-1-(4-chlorophenyl)ethanone
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Vijesh, A. M.; Isloor, A. M.; Arulmoli, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3373
• a: 5.7286 ± 0.0003 Å
• b: 7.4225 ± 0.0005 Å
• c: 15.4274 ± 0.0009 Å
• α: 85.337 ± 0.001°
• β: 89.772 ± 0.001°
• γ: 82.519 ± 0.001°
• Cell volume: 648.23 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes