Information card for entry 2214847

Structure parameters

• Chemical name: N-Methyl-N-methylsulfonyl-2-nitrobenzenesulfonamide
• Formula: C8 H10 N2 O6 S2
• Calculated formula: C8 H10 N2 O6 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)C)C)c1ccccc1N(=O)=O
• Title of publication: <i>N</i>-Methyl-<i>N</i>-methylsulfonyl-2-nitrobenzenesulfonamide
• Authors of publication: Xu-Yun Li; Zu-Wei Song; Wen-Ping Shi; Zhi-Qiang Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3520 - o3520
• a: 6.954 ± 0.0014 Å
• b: 20.492 ± 0.004 Å
• c: 8.1272 ± 0.0016 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 1157 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes