Information card for entry 2222630

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide
• Formula: C14 H14 N2 O6 S
• Calculated formula: C14 H14 N2 O6 S
• SMILES: S(=O)(=O)(Nc1cc(OC)ccc1OC)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide
• Authors of publication: Zhang, Guo-Yao; Qian, Shan; Li, Xiao-Cen; Wu, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1939
• a: 14.532 ± 0.004 Å
• b: 12.375 ± 0.004 Å
• c: 17.311 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3113.1 ± 1.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes