Information card for entry 2234103

Structure parameters

• Chemical name: (<i>E</i>)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid
• Formula: C15 H13 N O4
• Calculated formula: C15 H13 N O4
• SMILES: COc1cccc(c1O)/C=N/c1cccc(c1)C(=O)O
• Title of publication: (<i>E</i>)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid
• Authors of publication: Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Ghelenji, Safoora; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1067
• a: 5.2738 ± 0.0009 Å
• b: 10.978 ± 0.002 Å
• c: 12.084 ± 0.002 Å
• α: 107.044 ± 0.01°
• β: 100.776 ± 0.011°
• γ: 97.539 ± 0.01°
• Cell volume: 644.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes