Information card for entry 2221350

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dimethylphenyl)-4-methylbenzenesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1cc(c(cc1)C)C
• Title of publication: <i>N</i>-(3,4-Dimethylphenyl)-4-methylbenzenesulfonamide
• 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: o877
• a: 9.2528 ± 0.0007 Å
• b: 15.329 ± 0.001 Å
• c: 10.4469 ± 0.0007 Å
• α: 90°
• β: 102.558 ± 0.007°
• γ: 90°
• Cell volume: 1446.3 ± 0.18 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes