Information card for entry 2218208

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-(3-chlorophenyl)benzamide
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: Clc1cc(NC(=O)c2cc(Cl)ccc2)ccc1
• Title of publication: 3-Chloro-<i>N</i>-(3-chlorophenyl)benzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o949
• a: 8.577 ± 0.001 Å
• b: 13.551 ± 0.001 Å
• c: 10.357 ± 0.001 Å
• α: 90°
• β: 93.04 ± 0.01°
• γ: 90°
• Cell volume: 1202.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes