Information card for entry 2234037

Structure parameters

• Chemical name: 2-(Hydroxymethyl)pyridin-3-ol
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: n1cccc(O)c1CO
• Title of publication: 2-(Hydroxymethyl)pyridin-3-ol
• Authors of publication: He, Xue-Jun; Qiu, Jiang-Kai; Jia, Yu-Chi; Wang, De-Cai; Ou-Yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o722
• a: 7.043 ± 0.0014 Å
• b: 7.128 ± 0.0014 Å
• c: 12.264 ± 0.003 Å
• α: 90°
• β: 100.3 ± 0.03°
• γ: 90°
• Cell volume: 605.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes