Information card for entry 2012946

Structure parameters

• Common name: 8-Hydroxyquinaldinic acid
• Chemical name: 8-hydroxyquinolinium-2-carboxylate
• Formula: C10 H7 N O3
• Calculated formula: C10 H7 N O3
• SMILES: [O-]C(=O)c1[nH+]c2c(cc1)cccc2O
• Title of publication: 8-Hydroxyquinaldinic acid and its nickel(II) complex
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m475 - m477
• a: 12.748 ± 0.002 Å
• b: 7.476 ± 0.003 Å
• c: 16.657 ± 0.002 Å
• α: 90°
• β: 90.68 ± 0.01°
• γ: 90°
• Cell volume: 1587.4 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes