Information card for entry 2227672

Structure parameters

• Chemical name: 4-[(2-Hydroxybenzylidene)amino]-<i>N</i>-(5-methylisoxazol-3-yl)benzenesulfonamide
• Formula: C17 H15 N3 O4 S
• Calculated formula: C17 H15 N3 O4 S
• SMILES: S(=O)(=O)(Nc1noc(c1)C)c1ccc(/N=C/c2c(O)cccc2)cc1
• Title of publication: 4-[(2-Hydroxybenzylidene)amino]-<i>N</i>-(5-methylisoxazol-3-yl)benzenesulfonamide: a monoclinic polymorph
• Authors of publication: Ebenezer, Samuel; Muthiah, Packianathan Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2574
• a: 7.0374 ± 0.0001 Å
• b: 17.9244 ± 0.0003 Å
• c: 14.5175 ± 0.0003 Å
• α: 90°
• β: 112.962 ± 0.001°
• γ: 90°
• Cell volume: 1686.15 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.074
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes