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(2RS)-3-羟基-2-甲基-2-(2-吡啶基)咪唑烷-4-酮

(2RS)-3-Hydr-oxy-2-methyl-2-(2-pyrid-yl)imidazolidine-4-one.

作者信息

Iskenderov Turganbay S, Golenya Irina A, Gumienna-Kontecka Elźbieta, Fritsky Igor O, Prisyazhnaya Elena V

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2123-4. doi: 10.1107/S1600536809030840.

DOI:10.1107/S1600536809030840
PMID:21577537
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970069/
Abstract

The title structure, C(9)H(11)N(3)O(2), is a racemate. The chiral centre is situated at the N-C-N C atom of the imidazolidine ring. The inter-planar angle between the mean planes of the pyridine and imidazolidine rings is 89.41 (5)°. The methyl group is in a trans position with respect to the pyridine N atom. In the crystal, the mol-ecules are arranged in zigzag layers parallel to the b axis. The mol-ecules within the layers are inter-connected by strong O-H⋯N and weak N-H⋯O hydrogen bonds; the former take place between OH groups and amine N atoms and the latter between the amine N atom and the carbonyl O atom. In addition, C-H⋯O inter-actions are also present.

摘要

标题结构C(9)H(11)N(3)O(2)为外消旋体。手性中心位于咪唑烷环的N-C-N C原子上。吡啶环和咪唑烷环平均平面之间的面间角为89.41 (5)°。甲基相对于吡啶N原子处于反式位置。在晶体中,分子沿b轴平行排列成锯齿状层。层内分子通过强O-H⋯N和弱N-H⋯O氢键相互连接;前者发生在OH基团和胺N原子之间,后者发生在胺N原子和羰基O原子之间。此外,还存在C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c65/2970069/c2f42b3f209a/e-65-o2123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c65/2970069/8f4be23e4d7e/e-65-o2123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c65/2970069/c2f42b3f209a/e-65-o2123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c65/2970069/8f4be23e4d7e/e-65-o2123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c65/2970069/c2f42b3f209a/e-65-o2123-fig2.jpg

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