Information card for entry 2214153

Structure parameters

• Common name: Methanesulfon-3,4-dichloroanilide
• Chemical name: <i>N</i>-(3,4-Dichlorophenyl)methanesulfonamide
• Formula: C7 H7 Cl2 N O2 S
• Calculated formula: C7 H7 Cl2 N O2 S
• SMILES: CS(=O)(=O)Nc1cc(c(cc1)Cl)Cl
• Title of publication: <i>N</i>-(3,4-Dichlorophenyl)methanesulfonamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3090 - o3090
• a: 5.192 ± 0.001 Å
• b: 8.452 ± 0.001 Å
• c: 11.031 ± 0.001 Å
• α: 79.72 ± 0.01°
• β: 89.72 ± 0.01°
• γ: 84.89 ± 0.01°
• Cell volume: 474.38 ± 0.12 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: 0.0377
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes