Information card for entry 2226704

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3-chlorophenyl)-2-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(ccc(cc1C)Cl)S(=O)(=O)Nc1cc(ccc1)Cl
• Title of publication: 4-Chloro-<i>N</i>-(3-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: 7
• Pages of publication: o1702
• a: 7.9757 ± 0.0007 Å
• b: 11.3472 ± 0.0008 Å
• c: 15.569 ± 0.001 Å
• α: 90°
• β: 91.49 ± 0.008°
• γ: 90°
• Cell volume: 1408.55 ± 0.18 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: 0.0936
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes