Information card for entry 2223313

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dichlorophenyl)-4-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(cc(cc(c1)Cl)Cl)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(3,5-Dichlorophenyl)-4-methylbenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2334
• a: 6.7388 ± 0.0008 Å
• b: 8.9627 ± 0.0008 Å
• c: 22.944 ± 0.002 Å
• α: 90°
• β: 91.801 ± 0.008°
• γ: 90°
• Cell volume: 1385.1 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes