Information card for entry 2224366

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Formula: C14 H15 N O2 S
• Calculated formula: C14 H15 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1cc(ccc1)C
• Title of publication: 4-Methyl-<i>N</i>-(3-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: o3208
• a: 14.076 ± 0.003 Å
• b: 14.519 ± 0.003 Å
• c: 13.482 ± 0.002 Å
• α: 90°
• β: 98.1 ± 0.02°
• γ: 90°
• Cell volume: 2727.8 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes