Information card for entry 2227612

Structure parameters

• Chemical name: Benzoic acid‒2-{(<i>E</i>)-[(<i>E</i>)-2-(2-pyridylmethylidene)hydrazin-1- ylidene]methyl}pyridine (2/1)
• Formula: C26 H22 N4 O4
• Calculated formula: C26 H22 N4 O4
• SMILES: c1ccc(nc1)/C=N/N=C/c1ccccn1.OC(=O)c1ccccc1.OC(=O)c1ccccc1
• Title of publication: Benzoic acid‒2-{(<i>E</i>)-[(<i>E</i>)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1)
• Authors of publication: Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2813
• a: 4.4509 ± 0.0007 Å
• b: 11.3635 ± 0.0017 Å
• c: 12.0612 ± 0.0017 Å
• α: 108.985 ± 0.006°
• β: 99.83 ± 0.009°
• γ: 97.849 ± 0.01°
• Cell volume: 556.16 ± 0.15 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.117
• 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