Information card for entry 2218654

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzamide
• Formula: C13 H8 Cl3 N O
• Calculated formula: C13 H8 Cl3 N O
• SMILES: Clc1cc(NC(=O)c2c(Cl)cccc2)cc(Cl)c1
• Title of publication: 2-Chloro-<i>N</i>-(3,5-dichlorophenyl)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: 7
• Pages of publication: o1294
• a: 14.699 ± 0.001 Å
• b: 8.736 ± 0.001 Å
• c: 20.445 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2625.4 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes