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N'-(3,4-二羟基-亚苄基)乙酰肼一水合物

N'-(3,4-Dihydroxy-benzyl-idene)acetohydrazide monohydrate.

作者信息

Lv Lu-Ping, Yu Tie-Ming, Yu Wen-Bo, Li Wei-Wei, Hu Xian-Chao

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1897. doi: 10.1107/S1600536809027299.

DOI:10.1107/S1600536809027299
PMID:21583587
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977139/
Abstract

In the title compound, C(9)H(10)N(2)O(3)·H(2)O, the Schiff base mol-ecule is approximately planar, the dihedral angle between the benzene and acetohydrazide planes being 5.40 (7)°. An intra-molecular O-H⋯O hydrogen bond is observed. In the crystal, mol-ecules are linked into a two-dimensional network parallel to (100) by O-H⋯O, N-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds, and by π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance = 3.543 (2) Å].

摘要

在标题化合物C₉H₁₀N₂O₃·H₂O中,席夫碱分子近似平面,苯环与乙酰肼平面之间的二面角为5.40 (7)°。观察到分子内存在O—H⋯O氢键。在晶体中,分子通过O—H⋯O、N—H⋯O、O—H⋯N和C—H⋯O氢键以及对称相关苯环之间的π-π相互作用[质心间距 = 3.543 (2) Å]连接成平行于(100)的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b650/2977139/97c083cc15ea/e-65-o1897-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b650/2977139/4f91873ca2ef/e-65-o1897-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b650/2977139/97c083cc15ea/e-65-o1897-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b650/2977139/4f91873ca2ef/e-65-o1897-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b650/2977139/97c083cc15ea/e-65-o1897-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):m160-1. doi: 10.1107/S1600536809000105.
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N'-[1-(4-Methoxy-phen-yl)ethyl-idene]acetohydrazide.N'-[1-(4-甲氧基-苯基)亚乙基]乙酰肼
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2409. doi: 10.1107/S1600536808037677.
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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.