title: An amino-imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate.
abstract: The contributions of the amino and imino resonance forms to the ground-state structures of 2-amino-4-methylpyridinium nitrate, C(6)H(9)N(2)(+)·NO(3)(-), and the previously reported 2-amino-5-methylpyridinium nitrate [Yan, Fan, Bi, Zuo & Zhang (2012). Acta Cryst. E68, o2084], were studied using a combination of IR spectroscopy, X-ray crystallography and density functional theory (DFT). The results show that the structures of 2-amino-4-methylpyridine and 2-amino-5-methylpyridine obtained upon protonation are best described as existing largely in the imino resonance forms.
authors.affiliation: Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao, Shandong 266100, People's Republic of China.
authors.forename: Xing-Chen
authors.initials: XC
authors.lastname: Yan
authors.forename: Yu-Hua
authors.initials: YH
authors.lastname: Fan
authors.forename: Cai-Feng
authors.initials: CF
authors.lastname: Bi
authors.forename: Xia
authors.initials: X
authors.lastname: Zhang
authors.forename: Zhong-Yu
authors.initials: ZY
authors.lastname: Zhang
mesh_terms: D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D009566:Nitrates / Q000737:chemistry*; D011726:Pyridinium Compounds / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: C579154:2-amino-4-methylpyridinium nitrate; C579152:2-amino-5-methylpyridinium nitrate; D009566:Nitrates; D011726:Pyridinium Compounds