Information card for entry 2227482

Structure parameters

• Chemical name: <i>N</i>-{4-[(5-Methylisoxazol-3-yl)sulfamoyl]phenyl}benzamide
• Formula: C17 H15 N3 O4 S
• Calculated formula: C17 H15 N3 O4 S
• SMILES: S(=O)(=O)(Nc1noc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1
• Title of publication: <i>N</i>-{4-[(5-Methylisoxazol-3-yl)sulfamoyl]phenyl}benzamide
• Authors of publication: Yasmeen, Sumera; Murtaza, Shahzad; Akkurt, Mehmet; Khan, Islam Ullah; Sharif, Shahzad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2264
• a: 8.2407 ± 0.0006 Å
• b: 23.5069 ± 0.0016 Å
• c: 8.5199 ± 0.0006 Å
• α: 90°
• β: 92.155 ± 0.003°
• γ: 90°
• Cell volume: 1649.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1268
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes