Information card for entry 2215794

Structure parameters

• Chemical name: 2-nitro-N-(2,4-dimethylphenyl)benzenesulfonamide
• Formula: C14 H14 N2 O4 S
• Calculated formula: C14 H14 N2 O4 S
• SMILES: S(=O)(=O)(Nc1ccc(cc1C)C)c1ccccc1N(=O)=O
• Title of publication: <i>N</i>-(2,4-Dimethylphenyl)-2-nitrobenzenesulfonamide
• Authors of publication: Shi, Fa-En
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4372 - o4372
• a: 25.663 ± 0.004 Å
• b: 8.2546 ± 0.0011 Å
• c: 14.894 ± 0.002 Å
• α: 90°
• β: 115.779 ± 0.002°
• γ: 90°
• Cell volume: 2841.1 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes