Information card for entry 2231828

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide
• Formula: C14 H13 Cl2 N O2 S
• Calculated formula: C14 H13 Cl2 N O2 S
• SMILES: c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc1c(ccc(c1)C)C
• Title of publication: 2,4-Dichloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2649
• a: 24.307 ± 0.0008 Å
• b: 14.888 ± 0.0006 Å
• c: 12.4365 ± 0.0005 Å
• α: 90°
• β: 94.929 ± 0.003°
• γ: 90°
• Cell volume: 4483.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes