Information card for entry 2235027

Structure parameters

• Chemical name: 2-Cyano-1-methylpyridinium nitrate
• Formula: C7 H7 N3 O3
• Calculated formula: C7 H7 N3 O3
• Title of publication: 2-Cyano-1-methylpyridinium nitrate
• Authors of publication: Koplitz, Lynn V.; Mague, Joel T.; Kammer, Michael N.; McCormick, Cameron A.; Renfro, Heather E.; Vumbaco, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1653
• a: 16.302 ± 0.003 Å
• b: 6.1012 ± 0.001 Å
• c: 8.0318 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 798.9 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes