Information card for entry 2205870

Structure parameters

• Chemical name: N-Butyl-N-o-tolyl-benzenesulfonamide
• Formula: C17 H21 N O2 S
• Calculated formula: C17 H21 N O2 S
• SMILES: S(=O)(=O)(N(c1ccccc1C)CCCC)c1ccccc1
• Title of publication: <i>N</i>-Butyl-<i>N</i>-<i>o</i>-tolylbenzenesulfonamide
• Authors of publication: G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; P. Jaisankar; P. C. Srinivasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1916 - o1918
• a: 9.2614 ± 0.0009 Å
• b: 18.4306 ± 0.0019 Å
• c: 9.8602 ± 0.001 Å
• α: 90°
• β: 99.382 ± 0.002°
• γ: 90°
• Cell volume: 1660.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1794
• 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