Information card for entry 2225802

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: Cc1ccc(c(c1)C)S(=O)(=O)Nc1cccc(c1C)C
• Title of publication: <i>N</i>-(2,3-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1017
• a: 8.3643 ± 0.0007 Å
• b: 10.975 ± 0.001 Å
• c: 16.996 ± 0.002 Å
• α: 83.034 ± 0.009°
• β: 80.1 ± 0.007°
• γ: 81.796 ± 0.009°
• Cell volume: 1513.7 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes