Information card for entry 2219915

Structure parameters

• Common name: [H~2~OPy][Cl]
• Chemical name: 2-(Hydroxymethyl)pyridinium chloride
• Formula: C6 H8 Cl N O
• Calculated formula: C6 H8 Cl N O
• SMILES: [Cl-].[nH+]1c(cccc1)CO
• Title of publication: 2-(Hydroxymethyl)pyridinium chloride
• Authors of publication: Ottley, Leigh Anna M.; Rodriguez, Mark A.; Boyle, Timothy J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2233
• a: 7.0689 ± 0.0009 Å
• b: 8.0833 ± 0.0011 Å
• c: 12.1304 ± 0.0016 Å
• α: 90°
• β: 102.078 ± 0.002°
• γ: 90°
• Cell volume: 677.79 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes