1-羧甲基-3-甲基-1H-咪唑-3-鎓氯化物 2-(3-甲基-1H-咪唑-3-鎓-1-基)乙酸酯一水合物：一种由咪唑两性离子稳定的晶体。
1-Carboxymethyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions.
作者信息
Zhang Heng, Chang Liangliang, Wang Na, Xuan Xiaopeng
机构信息
School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007, People's Republic of China.
出版信息
Acta Crystallogr C. 2013 Oct;69(Pt 10):1173-6. doi: 10.1107/S0108270113023676. Epub 2013 Sep 6.
The title compound, C6H9N2O2(+)·Cl(-)·C6H8N2O2·H2O, contains one 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate inner salt molecule, one 1-carboxymethyl-3-methyl-1H-imidazol-3-ium cation, one chloride ion and one water molecule. In the extended structure, chloride anions and water molecules are linked via O-H···Cl hydrogen bonds, forming an infinite one-dimensional chain. The chloride anions are also linked by two weak C-H···Cl interactions to neighbouring methylene groups and imidazole rings. Two imidazolium moieties form a homoconjugated cation through a strong and asymmetric O-H···O hydrogen bond of 2.472 (2) Å. The IR spectrum shows a continuous D-type absorption in the region below 1300 cm(-1) and is different to that of 1-carboxymethyl-3-methylimidazolium chloride [Xuan, Wang & Xue (2012). Spectrochim. Acta Part A, 96, 436-443].
标题化合物C6H9N2O2(+)·Cl(-)·C6H8N2O2·H2O包含一个2-(3-甲基-1H-咪唑-3-鎓-1-基)乙酸内盐分子、一个1-羧甲基-3-甲基-1H-咪唑-3-鎓阳离子、一个氯离子和一个水分子。在扩展结构中，氯离子和水分子通过O-H···Cl氢键相连，形成无限的一维链。氯离子还通过两个弱的C-H···Cl相互作用与相邻的亚甲基和咪唑环相连。两个咪唑鎓部分通过2.472 (2) Å的强不对称O-H···O氢键形成同共轭阳离子。红外光谱在1300 cm(-1)以下区域显示连续的D型吸收，与1-羧甲基-3-甲基咪唑鎓氯化物的红外光谱不同[宣、王和薛(2012年)。《光谱化学学报》A辑，96，436 - 443]。
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