Information card for entry 2230228

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: Clc1ccc(S(=O)(=O)Nc2c(cccc2C)C)cc1
• Title of publication: 4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1401
• a: 7.3816 ± 0.0004 Å
• b: 10.2916 ± 0.0007 Å
• c: 18.312 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1391.13 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes