Information card for entry 2015386

Structure parameters

• Chemical name: 8-hydroxyquinolinium chloride monohydrate
• Formula: C9 H10 Cl N O2
• Calculated formula: C9 H10 Cl N O2
• SMILES: [Cl-].[nH+]1cccc2cccc(O)c12.O
• Title of publication: Formation of ladders from <i>R</i>~4~^4^(8) and <i>R</i>~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts
• Authors of publication: Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o312 - o314
• a: 7.2865 ± 0.0003 Å
• b: 8.2885 ± 0.0004 Å
• c: 8.4596 ± 0.0003 Å
• α: 78.328 ± 0.002°
• β: 86.105 ± 0.002°
• γ: 66.388 ± 0.002°
• Cell volume: 458.41 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes