Information card for entry 2227213

Structure parameters

• Chemical name: 4-Chloro-2-methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1C)Cl
• Title of publication: 4-Chloro-2-methyl-<i>N</i>-(4-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: 9
• Pages of publication: o2329
• a: 10.544 ± 0.001 Å
• b: 10.674 ± 0.001 Å
• c: 25.196 ± 0.003 Å
• α: 90°
• β: 96.83 ± 0.01°
• γ: 90°
• Cell volume: 2815.6 ± 0.5 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: 0.1189
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.3173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.426
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes