Information card for entry 2224376

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide
• Formula: C14 H15 N O2 S
• Calculated formula: C14 H15 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1c(cccc1)C
• Title of publication: 4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide
• Authors of publication: Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3184
• a: 14.65 ± 0.003 Å
• b: 12.019 ± 0.001 Å
• c: 15.634 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.8 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes