Information card for entry 2235554

Structure parameters

• Common name: Nicotinium nitrate
• Chemical name: 3-Carboxypyridinium nitrate
• Formula: C6 H6 N2 O5
• Calculated formula: C6 H6 N2 O5
• SMILES: OC(=O)c1c[nH+]ccc1.N(=O)(=O)[O-]
• Title of publication: 3-Carboxypyridinium nitrate
• Authors of publication: Al-Farhan, Khalid; Khair, Miftahul; Ghazzali, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2246
• a: 6.753 ± 0.0004 Å
• b: 7.5024 ± 0.0004 Å
• c: 8.4439 ± 0.0005 Å
• α: 81.895 ± 0.002°
• β: 82.215 ± 0.001°
• γ: 66.769 ± 0.002°
• Cell volume: 387.69 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0768
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes