Information card for entry 2230248

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)Nc1c(c(ccc1)C)C
• Title of publication: 4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide
• 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: 6
• Pages of publication: o1328
• a: 4.9926 ± 0.0006 Å
• b: 22.296 ± 0.003 Å
• c: 12.793 ± 0.002 Å
• α: 90°
• β: 90.11 ± 0.01°
• γ: 90°
• Cell volume: 1424.1 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes