Information card for entry 2241183

Structure parameters

• Chemical name: 4-<i>n</i>-Propoxybenzoic acid‒4,4'-bipyridyl (2/1)
• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: OC(=O)c1ccc(OCCC)cc1.OC(=O)c1ccc(OCCC)cc1.n1ccc(cc1)c1ccncc1
• Title of publication: Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒4,4'-bipyridyl (2/1), 4-<i>n</i>-propoxybenzoic acid‒4,4'-bipyridyl (2/1) and 4-<i>n</i>-butoxybenzoic acid‒4,4'-bipyridyl (2/1)
• Authors of publication: Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1290 - 1295
• a: 10.7592 ± 0.0004 Å
• b: 10.8838 ± 0.0003 Å
• c: 11.6462 ± 0.0004 Å
• α: 86.6411 ± 0.0011°
• β: 89.2313 ± 0.0013°
• γ: 73.8867 ± 0.0012°
• Cell volume: 1307.95 ± 0.08 ų
• Cell temperature: 93 ± 1 K
• Ambient diffraction temperature: 93 ± 1 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: 0.055
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes