Information card for entry 2235360

Structure parameters

• Chemical name: 4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}- <i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
• Formula: C17 H15 N3 O5 S
• Calculated formula: C17 H15 N3 O5 S
• SMILES: S(=O)(=O)(Nc1noc(c1)C)c1ccc(/N=C/c2c(O)c(O)ccc2)cc1
• Title of publication: 4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}-<i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
• Authors of publication: Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Munir, Christy; Aziz, Tariq
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2125
• a: 7.1881 ± 0.0006 Å
• b: 10.6682 ± 0.001 Å
• c: 11.6865 ± 0.0009 Å
• α: 92.181 ± 0.004°
• β: 99.776 ± 0.004°
• γ: 99.606 ± 0.005°
• Cell volume: 868.74 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes