Information card for entry 2227382

Structure parameters

• Chemical name: 2-Hydroxy-5-{[(<i>E</i>)-4-methoxybenzylidene]azaniumyl}benzoate
• Formula: C15 H13 N O4
• Calculated formula: C15 H13 N O4
• SMILES: O=C([O-])c1c(O)ccc(/[NH+]=C/c2ccc(OC)cc2)c1
• Title of publication: 2-Hydroxy-5-{[(<i>E</i>)-4-methoxybenzylidene]azaniumyl}benzoate
• Authors of publication: Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Ahmad, Shahbaz; Sarfraz, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2553 - o2554
• a: 13.4369 ± 0.0012 Å
• b: 8.5619 ± 0.0008 Å
• c: 12.6653 ± 0.0011 Å
• α: 90°
• β: 118.004 ± 0.003°
• γ: 90°
• Cell volume: 1286.5 ± 0.2 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: 0.076
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes