Information card for entry 2233818

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzenesulfonamide
• Formula: C17 H17 N3 O5 S2
• Calculated formula: C17 H17 N3 O5 S2
• SMILES: S(=O)(=O)(Nc1ccc(S(=O)(=O)Nc2noc(c2)C)cc1)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzenesulfonamide
• Authors of publication: Sohail, Muhammad; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafique, Muhammad; Ashfaq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o693
• a: 10.6294 ± 0.0006 Å
• b: 12.2394 ± 0.0007 Å
• c: 14.9673 ± 0.0011 Å
• α: 90°
• β: 106.863 ± 0.002°
• γ: 90°
• Cell volume: 1863.5 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes