Information card for entry 2226769

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(4-chlorophenyl)-2-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(c(cc(cc1)Cl)C)S(=O)(=O)Nc1ccc(cc1)Cl
• Title of publication: 4-Chloro-<i>N</i>-(4-chlorophenyl)-2-methylbenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2000
• a: 9.2696 ± 0.0005 Å
• b: 9.8591 ± 0.0005 Å
• c: 15.813 ± 0.001 Å
• α: 90°
• β: 95.222 ± 0.006°
• γ: 90°
• Cell volume: 1439.15 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes