Information card for entry 2228221

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dichlorophenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C14 H13 Cl2 N O2 S
• Calculated formula: C14 H13 Cl2 N O2 S
• SMILES: c1(c(cc(cc1)C)C)S(=O)(=O)Nc1c(cc(cc1)Cl)Cl
• Title of publication: <i>N</i>-(2,4-Dichlorophenyl)-2,4-dimethylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3144
• a: 8.2407 ± 0.0009 Å
• b: 8.3418 ± 0.0009 Å
• c: 10.849 ± 0.001 Å
• α: 84.59 ± 0.01°
• β: 89.06 ± 0.01°
• γ: 85.07 ± 0.01°
• Cell volume: 739.69 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes