Information card for entry 2018706

Structure parameters

• Chemical name: 5-chloro-8-hydroxyquinolinium chloride
• Formula: C9 H7 Cl2 N O
• Calculated formula: C9 H7 Cl2 N O
• SMILES: Clc1c2ccc[nH+]c2c(cc1)O.[Cl-]
• Title of publication: Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol
• Authors of publication: Vranec, Peter; Potočňák, Ivan; Repovský, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m370 - m376
• a: 7.398 ± 0.0004 Å
• b: 7.6612 ± 0.0005 Å
• c: 8.4536 ± 0.0004 Å
• α: 72.4 ± 0.005°
• β: 76.797 ± 0.005°
• γ: 84.615 ± 0.005°
• Cell volume: 444.47 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes