Information card for entry 2236032

Structure parameters

• Chemical name: 2,5-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: c1(cc(ccc1Cl)Cl)S(=O)(=O)Nc1cccc(c1)C
• Title of publication: 2,5-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Authors of publication: Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2476
• a: 9.0361 ± 0.001 Å
• b: 11.6937 ± 0.0011 Å
• c: 13.6904 ± 0.0015 Å
• α: 90°
• β: 100.588 ± 0.003°
• γ: 90°
• Cell volume: 1422 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes