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2-{2-[(E)-(2-苯甲酰肼-1-基亚甲基)甲基]苯氧基}乙酸

2-{2-[(E)-(2-Benzoyl-hydrazin-1-yl-idene)meth-yl]phen-oxy}acetic acid.

作者信息

Fun Hoong-Kun, Chia Tze Shyang, Alafeefy Ahmed M, Abdel-Aziz Hatem A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2260-1. doi: 10.1107/S1600536812028735. Epub 2012 Jun 30.

DOI:10.1107/S1600536812028735
PMID:22798909
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394044/
Abstract

In the title compound, C(16)H(14)N(2)O(4), the dihedral angle between the aromatic rings is 12.45 (6)°. The central C(=O)-N-N=C bridge is roughly planar (r.m.s. deviation = 0.0346 Å) and makes dihedral angles of 13.01 (7) and 0.56 (7)° with the attached phenyl and benzene rings, respectively. The acetic acid unit (r.m.s. deviation = 0.0066 Å) is twisted from its attached benzene ring [dihedral angle = 19.48 (6)°]. In the crystal, mol-ecules are linked by O-H⋯(O,N), N-H⋯O and C-H⋯O hydrogen bonds into sheets lying parallel to the bc plane. A weak aromatic π-π stacking inter-action is also observed [centroid-centroid distance = 3.7330 (7) Å].

摘要

在标题化合物C₁₆H₁₄N₂O₄中,芳环之间的二面角为12.45 (6)°。中心的C(=O)-N-N=C桥大致呈平面状(均方根偏差 = 0.0346 Å),与相连的苯环和苯环分别形成13.01 (7)°和0.56 (7)°的二面角。乙酸单元(均方根偏差 = 0.0066 Å)相对于其相连的苯环发生扭曲[二面角 = 19.48 (6)°]。在晶体中,分子通过O-H⋯(O,N)、N-H⋯O和C-H⋯O氢键连接成平行于bc平面的片层。还观察到一种弱的芳香π-π堆积相互作用[质心-质心距离 = 3.7330 (7) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b900/3394044/5332e78d1dab/e-68-o2260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b900/3394044/c5114a6c4297/e-68-o2260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b900/3394044/5332e78d1dab/e-68-o2260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b900/3394044/c5114a6c4297/e-68-o2260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b900/3394044/5332e78d1dab/e-68-o2260-fig2.jpg

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本文引用的文献

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Structure validation in chemical crystallography.
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