Information card for entry 2233362

Structure parameters

• Chemical name: 4-Hydroxy-3,5-dimethoxy-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzamide methanol monosolvate
• Formula: C20 H23 N3 O8 S
• Calculated formula: C20 H23 N3 O8 S
• SMILES: S(=O)(=O)(Nc1noc(c1)C)c1ccc(NC(=O)c2cc(OC)c(O)c(OC)c2)cc1.OC
• Title of publication: 4-Hydroxy-3,5-dimethoxy-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide methanol monosolvate
• Authors of publication: Pan, Wei-Gao; Zhao, Zhi-Dong; Luo, Peng; Lin, Cui-Wu; Miao, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o379
• a: 12.133 ± 0.011 Å
• b: 8.684 ± 0.008 Å
• c: 20.983 ± 0.019 Å
• α: 90°
• β: 102.043 ± 0.013°
• γ: 90°
• Cell volume: 2162 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes