Information card for entry 2213852

Structure parameters

• Common name: 3,4-Dimethylbenzenesulfonamide
• Chemical name: 3,4-Dimethylbenzenesulfonamide
• Formula: C8 H11 N O2 S
• Calculated formula: C8 H11 N O2 S
• SMILES: c1(cc(c(cc1)C)C)S(=O)(=O)N
• Title of publication: 3,4-Dimethylbenzenesulfonamide
• Authors of publication: B. Thimme Gowda; Roopa Nayak; Sabine Foro; Jozef Kožíšek; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2968 - o2968
• a: 9.7939 ± 0.0004 Å
• b: 9.5488 ± 0.0005 Å
• c: 10.3342 ± 0.0008 Å
• α: 90°
• β: 109.936 ± 0.005°
• γ: 90°
• Cell volume: 908.54 ± 0.1 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: 0.0389
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes