Information card for entry 2209619

Structure parameters

• Chemical name: 4,4'-Bipyridine‒2,4-dihydroxybenzoic acid (1/1)
• Formula: C17 H14 N2 O4
• Calculated formula: C17 H14 N2 O4
• SMILES: c1(c(cc(cc1)O)O)C(=O)O.c1cc(ccn1)c1ccncc1
• Title of publication: 4,4'-Bipyridine‒2,4-dihydroxybenzoic acid (1/1)
• Authors of publication: Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3031 - o3032
• a: 6.6085 ± 0.0008 Å
• b: 10.7724 ± 0.0012 Å
• c: 20.809 ± 0.002 Å
• α: 90°
• β: 95.942 ± 0.002°
• γ: 90°
• Cell volume: 1473.4 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes