Information card for entry 2103834

Structure parameters

• Chemical name: 2,2'-Dipyridylamine‒fumaric acid (1/1)
• Formula: C14 H13 N3 O4
• Calculated formula: C14 H13 N3 O4
• SMILES: N(c1[nH+]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: 8.0021 ± 0.0004 Å
• b: 8.7178 ± 0.0004 Å
• c: 10.8497 ± 0.0004 Å
• α: 106.257 ± 0.003°
• β: 109.127 ± 0.003°
• γ: 98.662 ± 0.002°
• Cell volume: 661.55 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.08
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes