Information card for entry 2223972

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethylphenyl)benzenesulfonamide
• Formula: C14 H15 N O2 S
• Calculated formula: C14 H15 N O2 S
• SMILES: S(=O)(=O)(Nc1c(ccc(c1)C)C)c1ccccc1
• Title of publication: <i>N</i>-(2,5-Dimethylphenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2763
• a: 10.523 ± 0.001 Å
• b: 8.5631 ± 0.0007 Å
• c: 15.135 ± 0.002 Å
• α: 90°
• β: 101.86 ± 0.01°
• γ: 90°
• Cell volume: 1334.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes