Information card for entry 2231809

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
• Formula: C15 H16 Cl N O2 S
• Calculated formula: C15 H16 Cl N O2 S
• SMILES: Clc1cc(c(S(=O)(=O)Nc2c(c(ccc2)C)C)cc1)C
• Title of publication: 4-Chloro-<i>N</i>-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme; Shakuntala, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2674
• a: 8.2747 ± 0.0007 Å
• b: 11.0464 ± 0.0009 Å
• c: 17.021 ± 0.001 Å
• α: 82.722 ± 0.007°
• β: 79.529 ± 0.007°
• γ: 80.267 ± 0.007°
• Cell volume: 1500.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes