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(2E)-2-(2-苯基肼-1-基亚基)丙酸

(2E)-2-(2-Phenyl-hydrazin-1-yl-idene)propanoic acid.

作者信息

Affan Md Abu, Salam M A, Siew Eleazar Veronica, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1163. doi: 10.1107/S1600536811013717. Epub 2011 Apr 16.

DOI:10.1107/S1600536811013717
PMID:21754470
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089133/
Abstract

The 13 non-H atoms comprising the title compound, C(9)H(10)N(2)O(2), are close to planar (r.m.s. deviation = 0.140 Å), with maximum deviations of 0.292 (1) and 0.210 (1) Å to either side of the least-squares plane exhibited by the hy-droxy and carbonyl O atoms, respectively. The observed conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. The conformation about the N=C double bond [1.2909 (16) Å] is E. The hy-droxy OH group also forms an inter-molecular hydrogen bond to a carbonyl O atom, and the amine H atom similarly forms an N-H⋯O hydrogen bond to a second carbonyl O atom. The result is the formation of a double layer with a flat topology. Layers stack along the a-axis direction connected by C-H⋯π inter-actions.

摘要

标题化合物C(9)H(10)N(2)O(2)的13个非氢原子接近平面结构(均方根偏差 = 0.140 Å),羟基和羰基O原子所展示的最小二乘平面两侧的最大偏差分别为0.292 (1) Å和0.210 (1) Å。观察到的构象通过分子内O-H⋯N氢键得以稳定。N=C双键[1.2909 (16) Å]的构象为E型。羟基OH基团还与一个羰基O原子形成分子间氢键,胺H原子同样与第二个羰基O原子形成N-H⋯O氢键。结果形成了具有扁平拓扑结构的双层。各层沿着a轴方向堆叠,通过C-H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/9b5a0caebb88/e-67-o1163-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/15a6aa51aecd/e-67-o1163-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/be9932dfdd74/e-67-o1163-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/9b5a0caebb88/e-67-o1163-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/15a6aa51aecd/e-67-o1163-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/be9932dfdd74/e-67-o1163-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c756/3089133/9b5a0caebb88/e-67-o1163-fig3.jpg

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