Information card for entry 2103842

Structure parameters

• Chemical name: 2,2'-Bipyridyl‒fumaric acid (1/1)
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: n1c(cccc1)c1ncccc1.OC(=O)/C=C/C(=O)O
• Title of publication: Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 100 - 117
• a: 23.9702 ± 0.0006 Å
• b: 3.7416 ± 0.0001 Å
• c: 14.8372 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1330.7 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes