Information card for entry 2221295

Structure parameters

• Chemical name: 4-Chloro-2-methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: Clc1cc(c(S(=O)(=O)Nc2c(cccc2)C)cc1)C
• Title of publication: 4-Chloro-2-methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o800
• a: 8.12 ± 0.0008 Å
• b: 8.1832 ± 0.0008 Å
• c: 10.985 ± 0.001 Å
• α: 95.81 ± 0.01°
• β: 96.92 ± 0.01°
• γ: 106.82 ± 0.01°
• Cell volume: 686.46 ± 0.12 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes