Information card for entry 2236110

Structure parameters

• Chemical name: 2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide
• Formula: C14 H13 Cl2 N O2 S
• Calculated formula: C14 H13 Cl2 N O2 S
• SMILES: c1(c(c(ccc1)C)C)NS(=O)(=O)c1c(ccc(c1)Cl)Cl
• Title of publication: 2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide
• Authors of publication: Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2748
• a: 13.0069 ± 0.0011 Å
• b: 10.0775 ± 0.0009 Å
• c: 22.408 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2937.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes