Information card for entry 2003294

Structure parameters

• Common name: Nimesulide
• Chemical name: 4-nitro-2-phenoxymethanesulfonanilide
• Formula: C13 H12 N2 O5 S
• Calculated formula: C13 H12 N2 O5 S
• SMILES: CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)N(=O)=O
• Title of publication: Nimesulide
• Authors of publication: Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 507 - 509
• a: 33.657 ± 0.003 Å
• b: 5.1305 ± 0.0003 Å
• c: 16.0816 ± 0.001 Å
• α: 90°
• β: 92.368 ± 0.008°
• γ: 90°
• Cell volume: 2774.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.1146
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.248
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No