Information card for entry 2231476

Structure parameters

• Chemical name: 3-Hydroxy-2-(hydroxymethyl)pyridinium chloride
• Formula: C6 H8 Cl N O2
• Calculated formula: C6 H8 Cl N O2
• SMILES: Oc1c([nH+]ccc1)CO.[Cl-]
• Title of publication: 3-Hydroxy-2-(hydroxymethyl)pyridinium chloride
• Authors of publication: Betz, Richard; Gerber, Thomas; Hosten, Eric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2348
• a: 6.849 ± 0.0002 Å
• b: 7.1376 ± 0.0002 Å
• c: 7.9675 ± 0.0002 Å
• α: 73.895 ± 0.001°
• β: 68.634 ± 0.001°
• γ: 86.801 ± 0.001°
• Cell volume: 348.044 ± 0.017 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes