Information card for entry 2018767

Structure parameters

• Chemical name: 2-amino-4-methylpyridinium nitrate
• Formula: C6 H9 N3 O3
• Calculated formula: C6 H9 N3 O3
• SMILES: [nH+]1c(N)cc(cc1)C.N(=O)(=O)[O-]
• Title of publication: An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate
• Authors of publication: Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 61 - 65
• a: 8.415 ± 0.0007 Å
• b: 12.8669 ± 0.0011 Å
• c: 15.2441 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes