丁烷-1,4-二铵双（吡啶-2-羧酸酯）一水合物
Butane-1,4-diammonium bis-(pyridine-2-carboxyl-ate) monohydrate.
作者信息
Kim Nam-Ho, Ha Kwang
机构信息
School of Applied Chemical Engineering, the Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 15;65(Pt 9):o2151. doi: 10.1107/S1600536809031493.
The asymmetric unit of the title compound, C(4)H(14)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated tetra-methyl-enediammonium dication, a pyridine-2-carboxyl-ate anion and half of a solvent water mol-ecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water mol-ecule. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal structure, the components are linked by inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.
标题化合物C₄H₁₄N₂²⁺·2C₆H₄NO₂⁻·H₂O的不对称单元由一个双质子化的四亚甲基二铵二价阳离子的一半、一个吡啶-2-羧酸根阴离子和一个溶剂水分子的一半组成；二价阳离子位于一个对称中心上，且一个二重旋转轴穿过水分子的O原子。基于C-O键长，阴离子的羧酸根基团似乎是离域的。在晶体结构中，各组分通过分子间的N-H⋯O、N-H⋯N和O-H⋯O氢键相连。
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