Information card for entry 2226862

Structure parameters

• Chemical name: 2-(Ethoxycarbonyl)pyridinium nitrate
• Formula: C8 H10 N2 O5
• Calculated formula: C8 H10 N2 O5
• SMILES: O(C(=O)c1[nH+]cccc1)CC.O=N(=O)[O-]
• Title of publication: 2-(Ethoxycarbonyl)pyridinium nitrate
• Authors of publication: Wang, Yingchun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2025
• a: 6.8221 ± 0.0014 Å
• b: 16.208 ± 0.003 Å
• c: 9.2195 ± 0.0018 Å
• α: 90°
• β: 106.55 ± 0.03°
• γ: 90°
• Cell volume: 977.2 ± 0.4 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: 0.1262
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes