Information card for entry 2236826

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide
• Formula: C14 H14 N2 O4 S
• Calculated formula: C14 H14 N2 O4 S
• SMILES: S(=O)(=O)(Nc1cc(cc(c1)C)C)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3425
• a: 14.708 ± 0.001 Å
• b: 7.941 ± 0.0007 Å
• c: 24.741 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2889.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes