Information card for entry 2223057

Structure parameters

• Chemical name: <i>o</i>-Toluenesulfonamide
• Formula: C7 H9 N O2 S
• Calculated formula: C7 H9 N O2 S
• SMILES: S(=O)(=O)(N)c1c(cccc1)C
• Title of publication: <i>o</i>-Toluenesulfonamide: a redetermination
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2258
• a: 18.67 ± 0.003 Å
• b: 18.67 ± 0.003 Å
• c: 9.057 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3157 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes