Information card for entry 2228218

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dichlorophenyl)-4-methylbenzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1Cl)Cl
• Title of publication: <i>N</i>-(2,3-Dichlorophenyl)-4-methylbenzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3062
• a: 14.035 ± 0.003 Å
• b: 12.386 ± 0.002 Å
• c: 15.993 ± 0.003 Å
• α: 90°
• β: 98.3 ± 0.01°
• γ: 90°
• Cell volume: 2751.1 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes