Information card for entry 2235724

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium nitrate
• Formula: C6 H9 N3 O3
• Calculated formula: C6 H9 N3 O3
• SMILES: [nH+]1c(N)ccc(c1)C.N(=O)(=O)[O-]
• Title of publication: 2-Amino-5-methylpyridinium nitrate
• Authors of publication: Yan, Xingchen; Fan, Yuhua; Bi, Caifeng; Zuo, Jian; Zhang, Zhongyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2084
• a: 8.7711 ± 0.0007 Å
• b: 15.7261 ± 0.0013 Å
• c: 6.8539 ± 0.0005 Å
• α: 90°
• β: 117.455 ± 0.002°
• γ: 90°
• Cell volume: 838.92 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes