Information card for entry 2234152

Structure parameters

• Chemical name: 4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)
• Formula: C25 H20 N2 O5
• Calculated formula: C25 H20 N2 O5
• SMILES: O=C(O)c1ccc(cc1)C(O)c1ccc(cc1)C(=O)O.n1ccc(cc1)c1ccncc1
• Title of publication: 4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)
• Authors of publication: Qin, Lan; Xu, Lan-Ping; Han, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1175
• a: 8.0528 ± 0.0016 Å
• b: 11.683 ± 0.002 Å
• c: 21.922 ± 0.004 Å
• α: 90°
• β: 96.66 ± 0.03°
• γ: 90°
• Cell volume: 2048.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1559
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes