Information card for entry 2223148

Structure parameters

• Chemical name: 2,2'-Bipyridine-5,5'-dicarboxylic acid
• Formula: C12 H8 N2 O4
• Calculated formula: C12 H8 N2 O4
• SMILES: OC(=O)c1ccc(nc1)c1ccc(cn1)C(=O)O
• Title of publication: 2,2'-Bipyridine-5,5'-dicarboxylic acid
• Authors of publication: Wang, Chongchen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2081
• a: 3.7384 ± 0.0005 Å
• b: 6.3934 ± 0.0008 Å
• c: 10.7786 ± 0.0013 Å
• α: 98.774 ± 0.002°
• β: 92.567 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 254.34 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes