Information card for entry 2225035

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide
• Formula: C15 H10 Cl3 N O2
• Calculated formula: C15 H10 Cl3 N O2
• SMILES: C(=O)(c1cc(Cl)ccc1NC(=O)CCl)c1c(Cl)cccc1
• Title of publication: 2-Chloro-<i>N</i>-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide
• Authors of publication: Dutkiewicz, Grzegorz; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o499
• a: 7.5776 ± 0.0009 Å
• b: 10.1565 ± 0.001 Å
• c: 10.7862 ± 0.0012 Å
• α: 70.069 ± 0.008°
• β: 77.604 ± 0.009°
• γ: 70.388 ± 0.008°
• Cell volume: 730.41 ± 0.15 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.0476
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes