Information card for entry 2228681

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1c(cccc1Cl)Cl
• Title of publication: <i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o142
• a: 5.0456 ± 0.0006 Å
• b: 17.128 ± 0.002 Å
• c: 16.54 ± 0.002 Å
• α: 90°
• β: 97.13 ± 0.01°
• γ: 90°
• Cell volume: 1418.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes