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(2R,5S)-5-苄基-2,3-二甲基-4-氧代-2-苯基咪唑啉-1-鎓氯化物

(2R,5S)-5-Benzyl-2,3-dimethyl-4-oxo-2-phenyl-imidazolidin-1-ium chloride.

作者信息

Zhang Shuai, Wang Yifeng, Li Bailin, Zhang Guangcun, Luo Shuping

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 28;65(Pt 4):o888. doi: 10.1107/S1600536809010460.

Abstract

The title hydro-chloride salt, C(18)H(21)N(2)O(+)·Cl(-), is an imidazolidinone catalyst, which was derived from L-phenyl-alanine through cyclization with acetophenone. The imidazolidinone compound has a five-membered heterocyclic ring including two chiral centres. The imidazolidinone ring displays an envelope conformation, with the flap protonated N atom lying 0.497 (3) Å above the mean plane of the remaining four atoms. In the crystal structure, one-dimensional supra-molecular chains parallel to the crystallographic 2(1) screw axis are formed by N-H⋯Cl hydrogen bonds involving the NH(2) (+) and Cl(-) groups. Intra-molecular N-H⋯Cl inter-actions are also present.

摘要

标题盐酸盐C(18)H(21)N(2)O(+)·Cl(-)是一种咪唑烷酮催化剂,它由L-苯丙氨酸与苯乙酮环化反应制得。该咪唑烷酮化合物具有一个包含两个手性中心的五元杂环。咪唑烷酮环呈信封构象,带质子化的N原子翼片位于其余四个原子平均平面上方0.497 (3) Å处。在晶体结构中,由涉及NH(2)(+)和Cl(-)基团的N-H⋯Cl氢键形成了平行于晶体学2(1)螺旋轴的一维超分子链。分子内也存在N-H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cad0/2969013/16e5f9a23f73/e-65-0o888-fig1.jpg

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