Information card for entry 2228699

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dichlorophenyl)-4-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1cc(c(cc1)Cl)Cl
• Title of publication: <i>N</i>-(3,4-Dichlorophenyl)-4-methylbenzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o104
• a: 9.543 ± 0.001 Å
• b: 13.628 ± 0.002 Å
• c: 10.893 ± 0.001 Å
• α: 90°
• β: 94.85 ± 0.01°
• γ: 90°
• Cell volume: 1411.6 ± 0.3 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: 0.1092
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes