An aminoimino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate

作者:Yan Xing Chen; Fan Yu Hua*; Bi Cai Feng; Zhang Xia; Zhang Zhong Yu
来源:Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69: 61-+.
DOI:10.1107/S0108270112047877

摘要

The contributions of the amino and imino resonance forms to the ground-state structures of 2-amino-4-methylpyridinium nitrate, C6H9N2+center dot NO3, 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.

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