Information card for entry 2226362

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc1cc(ccc1)C
• Title of publication: 2,4-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• 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: o1520
• a: 7.9031 ± 0.0007 Å
• b: 14.507 ± 0.001 Å
• c: 12.715 ± 0.001 Å
• α: 90°
• β: 99.895 ± 0.008°
• γ: 90°
• Cell volume: 1436.1 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes