Information card for entry 2016991

Structure parameters

• Chemical name: 8-hydroxyquinolinium hydrogen maleate
• 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: 5.3777 ± 0.0003 Å
• b: 10.0563 ± 0.0007 Å
• c: 22.4243 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.7 ± 0.13 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes