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N'-(4-羟基-亚苄基)乙酰肼一水合物

N'-(4-Hydroxy-benzyl-idene)aceto-hydrazide 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 29;65(Pt 8):o2007. doi: 10.1107/S160053680902892X.

DOI:10.1107/S160053680902892X
PMID:21583678
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977428/
Abstract

In the title compound, C(9)H(10)N(2)O(2)·H(2)O, the mol-ecular skeleton of the acetohydrazide mol-ecule is nearly planar [within 0.014 (1) Å]. The mol-ecule adopts a trans configuration with respect to the C=N bond, while the side chain is slightly twisted away from the attached ring, forming a dihedral angle of 9.975 (8)°. The crystal packing exhibits a three-dimensional network composed from alternating acetohydrazide mol-ecules and uncoordinated water mol-ecules, which inter-act via N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds. A C-H⋯π inter-action is also present.

摘要

在标题化合物C₉H₁₀N₂O₂·H₂O中,乙酰肼分子的分子骨架近乎平面(偏差在0.014 (1) Å范围内)。分子相对于C=N键采取反式构型,而侧链略微偏离所连接的环扭转,形成9.975 (8)°的二面角。晶体堆积呈现出由交替的乙酰肼分子和未配位的水分子组成的三维网络,它们通过N—H⋯O、O—H⋯O和O—H⋯N氢键相互作用。还存在C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c06b/2977428/64cd803b6250/e-65-o2007-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c06b/2977428/20d980e33de1/e-65-o2007-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c06b/2977428/64cd803b6250/e-65-o2007-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c06b/2977428/20d980e33de1/e-65-o2007-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c06b/2977428/64cd803b6250/e-65-o2007-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.
2
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.