Information card for entry 2231827

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
• Formula: C15 H16 Cl N O2 S
• Calculated formula: C15 H16 Cl N O2 S
• SMILES: c1(c(cc(cc1)Cl)C)S(=O)(=O)Nc1c(cc(cc1)C)C
• Title of publication: 4-Chloro-<i>N</i>-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
• 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: o2648
• a: 8.2578 ± 0.0007 Å
• b: 12.665 ± 0.001 Å
• c: 14.299 ± 0.002 Å
• α: 90°
• β: 92.187 ± 0.007°
• γ: 90°
• Cell volume: 1494.4 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes