Information card for entry 2224788

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1Cl)Cl
• Title of publication: 2,4-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o190
• a: 11.76 ± 0.002 Å
• b: 14.875 ± 0.002 Å
• c: 16.672 ± 0.003 Å
• α: 85.06 ± 0.01°
• β: 75.26 ± 0.01°
• γ: 87.2 ± 0.01°
• Cell volume: 2808.9 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes