Information card for entry 2224713

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethylphenyl)-4-methylbenzenesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: S(=O)(=O)(Nc1c(ccc(c1)C)C)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2,5-Dimethylphenyl)-4-methylbenzenesulfonamide
• 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: o15
• a: 8.6397 ± 0.0007 Å
• b: 9.7067 ± 0.0008 Å
• c: 10.518 ± 0.001 Å
• α: 66.97 ± 0.01°
• β: 81.37 ± 0.01°
• γ: 64.82 ± 0.01°
• Cell volume: 734.49 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes