Information card for entry 7204552

Structure parameters

• Common name: 8-hydroxyquinolinium salicylate
• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: c12c([nH+]ccc2)c(O)ccc1.c1(c(O)cccc1)C(=O)[O-]
• Title of publication: Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound
• Authors of publication: Smith, Graham; Wermuth, Urs D.; White, Jonathan M.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 58
• a: 6.983 ± 0.0011 Å
• b: 16.174 ± 0.0017 Å
• c: 12.36 ± 0.004 Å
• α: 90°
• β: 99.31 ± 0.02°
• γ: 90°
• Cell volume: 1377.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No