Information card for entry 2232475

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
• Formula: C13 H10 Cl3 N O2 S
• Calculated formula: C13 H10 Cl3 N O2 S
• SMILES: c1(c(cc(cc1)Cl)C)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl
• Title of publication: 4-Chloro-<i>N</i>-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2939
• a: 14.563 ± 0.002 Å
• b: 10.033 ± 0.002 Å
• c: 10.162 ± 0.002 Å
• α: 90°
• β: 92.6 ± 0.02°
• γ: 90°
• Cell volume: 1483.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes