Information card for entry 2233774

Structure parameters

• Chemical name: 4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: n1ccc(cc1)c1ccncc1.COc1ccccc1C(=O)O.COc1ccccc1C(=O)O
• Title of publication: 4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)
• Authors of publication: Qian, Xiao-Yan; Liu, Feng-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o597
• a: 7.709 ± 0.0015 Å
• b: 25.62 ± 0.005 Å
• c: 6.3624 ± 0.0013 Å
• α: 90°
• β: 112.08 ± 0.03°
• γ: 90°
• Cell volume: 1164.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes