Information card for entry 2226072

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide
• Formula: C13 H9 Cl2 N O3 S
• Calculated formula: C13 H9 Cl2 N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1ccc(cc1)Cl
• Title of publication: 4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1253
• a: 13.6405 ± 0.0009 Å
• b: 9.6495 ± 0.0008 Å
• c: 21.116 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2779.4 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes