Information card for entry 2227569

Structure parameters

• Chemical name: Benzoic acid‒4-{(1<i>E</i>)-[(<i>E</i>)-2-(pyridin-4-ylmethylidene)hydrazin- 1-ylidene]methyl}pyridine (2/1)
• Formula: C26 H22 N4 O4
• Calculated formula: C26 H22 N4 O4
• SMILES: n1ccc(cc1)/C=N/N=C/c1ccncc1.OC(=O)c1ccccc1.OC(=O)c1ccccc1
• Title of publication: Benzoic acid‒4-{(1<i>E</i>)-[(<i>E</i>)-2-(pyridin-4-ylmethylidene)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: o2924
• a: 6.873 ± 0.006 Å
• b: 26.059 ± 0.019 Å
• c: 7.117 ± 0.006 Å
• α: 90°
• β: 116.245 ± 0.013°
• γ: 90°
• Cell volume: 1143.3 ± 1.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No