1-羧甲基-2-乙基-4-甲基-1H-咪唑-3-鎓氯化物一水合物
1-Carboxy-methyl-2-ethyl-4-methyl-1H-imidazol-3-ium chloride monohydrate.
作者信息
Chen Chuan-Qing, Luo Shi-Neng, Lin Jian-Guo, Qiu Ling, Xia Yong-Mei
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):o1081. doi: 10.1107/S1600536809013403.
Abstract
In the title compound, C(8)H(13)N(2)O(2) (+)·Cl(-)·H(2)O, the methyl C atom of the ethyl group is slightly out of the imidazole plane, with an N-C(ring)-C-C torsion angle of -15.1 (2)°. In the crystal structure, there are strong inter-molecular hydrogen-bonding inter-actions between the solvent water mol-ecule, the free chloride anion and the organic cation, resulting in a two-dimensional supra-molecular network in the ab plane.
摘要
在标题化合物C₈H₁₃N₂O₂⁺·Cl⁻·H₂O中，乙基的甲基碳原子略微偏离咪唑平面，N-C(环)-C-C扭转角为-15.1 (2)°。在晶体结构中，溶剂水分子、游离氯离子阴离子与有机阳离子之间存在强烈的分子间氢键相互作用，在ab平面上形成二维超分子网络。
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