Information card for entry 2016992

Structure parameters

• Chemical name: 8-hydroxyquinolinium hydrogen fumarate
• Formula: C13 H11 N O5
• Calculated formula: C13 H11 N O5
• SMILES: Oc1cccc2ccc[nH+]c12.[O-]C(=O)/C=C/C(=O)O
• Title of publication: Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns
• Authors of publication: Franklin, S.; Balasubramanian, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o58 - o61
• a: 7.3282 ± 0.0003 Å
• b: 7.4363 ± 0.0003 Å
• c: 11.568 ± 0.0005 Å
• α: 79.349 ± 0.002°
• β: 74.994 ± 0.002°
• γ: 89.337 ± 0.002°
• Cell volume: 597.97 ± 0.04 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0756
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes