Information card for entry 2005486

Structure parameters

• Chemical name: Pyridine-2,5-dimethanol
• Formula: C7 H9 N O2
• Calculated formula: C7 H9 N O2
• SMILES: OCc1nc(ccc1)CO
• Title of publication: Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol
• Authors of publication: Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2520 - 2524
• a: 6.873 ± 0.001 Å
• b: 7.2268 ± 0.0014 Å
• c: 7.471 ± 0.002 Å
• α: 80.41 ± 0.02°
• β: 80.27 ± 0.02°
• γ: 67.121 ± 0.01°
• Cell volume: 334.88 ± 0.12 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1328
• Weighted residual factors for significantly intense reflections: 0.1182
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No