Information card for entry 2235412

Structure parameters

• Chemical name: 8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride
• Formula: C10 H10 Cl N O2
• Calculated formula: C10 H10 Cl N O2
• SMILES: [Cl-].Oc1c2[nH+]cccc2c(cc1)CO
• Title of publication: 8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride
• Authors of publication: Fathi, Majda; Fouham, Youssef; Arbib, El Hassan; Lakhrissi, Brahim; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o1979 - o1980
• a: 6.9081 ± 0.0005 Å
• b: 8.0577 ± 0.0005 Å
• c: 17.189 ± 0.0011 Å
• α: 90°
• β: 101.183 ± 0.003°
• γ: 90°
• Cell volume: 938.63 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes