Information card for entry 2241907

Structure parameters

• Chemical name: 4-Ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)
• Formula: C30 H30 N2 O6
• Calculated formula: C30 H30 N2 O6
• SMILES: OC(=O)c1ccc(OCC)cc1.OC(=O)c1ccc(OCC)cc1.n1ccc(cc1)/C=C/c1ccncc1
• Title of publication: Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)
• Authors of publication: Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1666 - 1671
• a: 10.873 ± 0.003 Å
• b: 11.197 ± 0.004 Å
• c: 12.921 ± 0.004 Å
• α: 82.399 ± 0.013°
• β: 66.241 ± 0.01°
• γ: 62.207 ± 0.011°
• Cell volume: 1270.6 ± 0.7 ų
• Cell temperature: 93 ± 1 K
• Ambient diffraction temperature: 93 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes