Information card for entry 2237174

Structure parameters

• Chemical name: 8-Hydroxy-5,7-dimethylquinolin-1-ium chloride dihydrate
• Formula: C11 H16 Cl N O3
• Calculated formula: C11 H16 Cl N O3
• SMILES: [Cl-].O.Oc1c(cc(c2ccc[nH+]c12)C)C.O
• Title of publication: 8-Hydroxy-5,7-dimethylquinolin-1-ium chloride dihydrate
• Authors of publication: Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o44
• a: 6.799 ± 0.0005 Å
• b: 9.2215 ± 0.0006 Å
• c: 10.2123 ± 0.0007 Å
• α: 103.82 ± 0.001°
• β: 95.629 ± 0.001°
• γ: 105.517 ± 0.001°
• Cell volume: 590.04 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0302
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes