Information card for entry 2233739

Structure parameters

• Chemical name: <i>N</i>-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide
• Formula: C14 H12 N2 O5 S
• Calculated formula: C14 H12 N2 O5 S
• SMILES: c1(c(cccc1)N(=O)=O)S(=O)(=O)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o572
• a: 10.86 ± 0.001 Å
• b: 11.716 ± 0.002 Å
• c: 12.841 ± 0.002 Å
• α: 114.51 ± 0.02°
• β: 102.99 ± 0.02°
• γ: 91.16 ± 0.01°
• Cell volume: 1436.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1161
• 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