Information card for entry 2236385

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide
• Formula: C14 H14 N2 O4 S
• Calculated formula: C14 H14 N2 O4 S
• SMILES: S(=O)(=O)(Nc1cc(cc(c1)C)C)c1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)-2-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: 10
• Pages of publication: o2823
• a: 16.561 ± 0.001 Å
• b: 8.1611 ± 0.0006 Å
• c: 21.476 ± 0.002 Å
• α: 90°
• β: 90.056 ± 0.007°
• γ: 90°
• Cell volume: 2902.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes