Information card for entry 2212677

Structure parameters

• Common name: 4,4-bipyridinium oxalate
• Chemical name: 4,4'-bipyridyl‒oxalic acid (1/1)
• Formula: C12 H10 N2 O4
• Calculated formula: C12 H10 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)C(=O)O
• Title of publication: Short N···O hydrogen bonds in the 1:1 adduct of 4,4'-bipyridyl and oxalic acid
• Authors of publication: Cowan, John A.; Howard, Judith A. K.; Puschmann, Horst; Williams, Ian D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1240 - o1242
• a: 8.7365 ± 0.0018 Å
• b: 9.9154 ± 0.0019 Å
• c: 10.38 ± 0.002 Å
• α: 100.253 ± 0.01°
• β: 105.349 ± 0.011°
• γ: 107.569 ± 0.01°
• Cell volume: 793.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes