Information card for entry 2215055

Structure parameters

• Chemical name: 2-Hydroxy-5-(2-hydroxy-3-methoxybenzylideneamino)benzoic acid
• Formula: C15 H13 N O5
• Calculated formula: C15 H13 N O5
• SMILES: N(=C/c1c(O)c(OC)ccc1)\c1ccc(O)c(C(=O)O)c1
• Title of publication: 2-Hydroxy-5-(2-hydroxy-3-methoxybenzylideneamino)benzoic acid
• Authors of publication: Rui-Ting Xue; Mei-Ju Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3812 - o3812
• a: 8.1049 ± 0.0009 Å
• b: 14.084 ± 0.002 Å
• c: 12.1998 ± 0.0017 Å
• α: 90°
• β: 108.264 ± 0.002°
• γ: 90°
• Cell volume: 1322.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1551
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.17
• 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: No
• Has Fobs: Yes