Information card for entry 2240041

Structure parameters

• Chemical name: 6-Ethoxypyridin-1-ium-2-olate
• Formula: C7 H9 N O2
• Calculated formula: C7 H9 N O2
• SMILES: c1(=O)cccc([nH]1)OCC
• Title of publication: Crystal structure of 6-ethoxypyridin-1-ium-2-olate
• Authors of publication: Luo, Kaijun; Guo, Qing; Wang, Yan; Luo, Daibing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1146
• a: 8.3037 ± 0.0011 Å
• b: 7.0999 ± 0.0006 Å
• c: 12.0767 ± 0.0015 Å
• α: 90°
• β: 93.402 ± 0.013°
• γ: 90°
• Cell volume: 710.73 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0843
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes