Information card for entry 2218362

Structure parameters

• Chemical name: (<i>E</i>)-4-[(2-Hydroxybenzylidene)amino]benzenesulfonic acid
• Formula: C13 H11 N O4 S
• Calculated formula: C13 H11 N O4 S
• SMILES: Oc1ccccc1/C=N/c1ccc(cc1)S(=O)(=O)O
• Title of publication: (<i>E</i>)-4-[(2-Hydroxybenzylidene)amino]benzenesulfonic acid
• Authors of publication: Zhang, Xinli; Li, Zongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1159
• a: 4.8711 ± 0.0005 Å
• b: 29.022 ± 0.003 Å
• c: 9.0356 ± 0.0017 Å
• α: 90°
• β: 97.223 ± 0.002°
• γ: 90°
• Cell volume: 1267.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes