Information card for entry 2214155

Structure parameters

• Common name: Methanesulfon-3,5-dichloroanilide
• Chemical name: N-(3,5-dichlorophenyl)methanesulfonamide
• Formula: C7 H7 Cl2 N O2 S
• Calculated formula: C7 H7 Cl2 N O2 S
• SMILES: CS(=O)(=O)Nc1cc(cc(c1)Cl)Cl
• Title of publication: <i>N</i>-(3,5-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: o3102 - o3102
• a: 16.076 ± 0.003 Å
• b: 5.053 ± 0.002 Å
• c: 12.148 ± 0.003 Å
• α: 90°
• β: 96.6 ± 0.02°
• γ: 90°
• Cell volume: 980.3 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes