Information card for entry 2219513

Structure parameters

• Common name: N-(4-Chloro-2-nitrophenyl)methanesulfonamide
• Chemical name: <i>N</i>-(4-Chloro-2-nitrophenyl)methanesulfonamide
• Formula: C7 H7 Cl N2 O4 S
• Calculated formula: C7 H7 Cl N2 O4 S
• SMILES: Clc1cc(N(=O)=O)c(NS(=O)(=O)C)cc1
• Title of publication: <i>N</i>-(4-Chloro-2-nitrophenyl)methanesulfonamide
• Authors of publication: Zia-ur-Rehman, Muhammad; Choudary, Jamil Anwar; Akbar, Nosheen; Khan, Islam Ullah; Nadeem Arshad, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2034 - o2035
• a: 11.728 ± 0.003 Å
• b: 4.9798 ± 0.0013 Å
• c: 17.988 ± 0.005 Å
• α: 90°
• β: 107.334 ± 0.008°
• γ: 90°
• Cell volume: 1002.8 ± 0.5 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: 0.1391
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes