Information card for entry 2224586

Structure parameters

• Chemical name: 4-Chloro-2-methyl-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: c1(c(cc(cc1)Cl)C)S(=O)(=O)Nc1cc(ccc1)C
• Title of publication: 4-Chloro-2-methyl-<i>N</i>-(3-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: 1
• Pages of publication: o14
• a: 7.883 ± 0.0007 Å
• b: 11.602 ± 0.001 Å
• c: 15.645 ± 0.002 Å
• α: 90°
• β: 90.593 ± 0.008°
• γ: 90°
• Cell volume: 1430.8 ± 0.3 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: 0.0828
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes