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(E)-N'-[1-(4-甲氧基苯基)亚乙基]肼羧酸乙酯

(E)-Ethyl N'-[1-(4-methoxy-phen-yl)ethyl-idene]hydrazinecarboxyl-ate.

作者信息

Lv Lu-Ping, Xie Jian-Wu, Yu Wen-Bo, Mao Yu-Hui, Hu Xian-Chao

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 4;64(Pt 11):o2062. doi: 10.1107/S1600536808031462.

DOI:10.1107/S1600536808031462
PMID:21580928
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959676/
Abstract

The mol-ecule of the title compound, C(12)H(16)N(2)O(3), adopts a trans configuration with respect to the C=N bond. The dihedral angle between the benzene ring and the hydrazinecarboxyl-ate plane is 13.82 (6)°. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by N-H⋯O and C-H⋯O hydrogen bonds, and the dimers are linked together by C-H⋯π inter-actions.

摘要

标题化合物C(12)H(16)N(2)O(3)的分子相对于C=N键采取反式构型。苯环与肼羧酸酯平面之间的二面角为13.82 (6)°。在晶体结构中,分子通过N-H⋯O和C-H⋯O氢键连接成中心对称的二聚体,并且二聚体通过C-H⋯π相互作用连接在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f941/2959676/8abb152cfa76/e-64-o2062-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f941/2959676/d79370e04d0f/e-64-o2062-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f941/2959676/8abb152cfa76/e-64-o2062-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f941/2959676/d79370e04d0f/e-64-o2062-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f941/2959676/8abb152cfa76/e-64-o2062-fig2.jpg

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本文引用的文献

1
(E)-Methyl N'-[1-(4-methoxy-phen-yl)ethyl-idene]hydrazinecarboxyl-ate.(E)-N'-[1-(4-甲氧基苯基)亚乙基]肼基甲酸甲酯
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Design, synthesis, and evaluation of Phe-Gly mimetics: heterocyclic building blocks for pseudopeptides.
J Med Chem. 1999 Oct 21;42(21):4331-42. doi: 10.1021/jm990197+.