Information card for entry 2241725

Structure parameters

• Chemical name: Ethyl 4-[(<i>E</i>)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O(c1cc(/C=N/c2ccc(C(=O)OCC)cc2)ccc1O)C
• Title of publication: Crystal structure of ethyl 4-[(<i>E</i>)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate: a <i>p</i>-hydroxy Schiff base
• Authors of publication: Ling, Jing; Kavuru, Padmini; Wojtas, Lukasz; Chadwick, Keith
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 951 - 954
• a: 12.4229 ± 0.0005 Å
• b: 9.6392 ± 0.0005 Å
• c: 13.2384 ± 0.0006 Å
• α: 90°
• β: 102.457 ± 0.003°
• γ: 90°
• Cell volume: 1547.94 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes