Information card for entry 2018162

Structure parameters

• Common name: 8-Hydroxy-7-quinolinecarboxylic acid monohydrate
• Chemical name: 8-hydroxyquinolinium-7-carboxylate monohydrate
• Formula: C10 H9 N O4
• Calculated formula: C10 H9 N O4
• SMILES: [nH+]1cccc2ccc(c(c12)O)C(=O)[O-].O
• Title of publication: A structural and theoretical study of the intermolecular interactions in 8-hydroxyquinolinium-7-carboxylate monohydrate
• Authors of publication: Kruszynski, Rafal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o230 - o234
• a: 7.0045 ± 0.0004 Å
• b: 7.6512 ± 0.0005 Å
• c: 9.4192 ± 0.0005 Å
• α: 87.877 ± 0.005°
• β: 71.718 ± 0.005°
• γ: 73.083 ± 0.005°
• Cell volume: 457.76 ± 0.05 ų
• Cell temperature: 291 ± 3 K
• Ambient diffraction temperature: 291 ± 3 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: 0.0439
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes