Information card for entry 2239914

Structure parameters

• Chemical name: (<i>E</i>)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate
• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• SMILES: [O-]C(=O)c1ccccc1/[NH+]=C/c1ccc(O)cc1
• Title of publication: Crystal structure of (<i>E</i>)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate
• Authors of publication: Tahir, M. Nawaz; Khan, Abdul Haleem; Shad, Hazoor Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1008
• a: 3.8612 ± 0.0005 Å
• b: 15.28 ± 0.003 Å
• c: 18.604 ± 0.003 Å
• α: 90°
• β: 90.347 ± 0.008°
• γ: 90°
• Cell volume: 1097.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes