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2'-(3-羟基-亚苄基)吡嗪-2-碳酰肼一水合物

2'-(3-Hydroxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.

作者信息

He Lei

机构信息

Department of Chemistry, Tianjin University, Tianjin 300072, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o82. doi: 10.1107/S1600536807062708.

DOI:10.1107/S1600536807062708
PMID:21200959
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915038/
Abstract

The title compound, C(12)H(10)N(4)O(2)·H(2)O, was synthesized by the reaction of pyrazine-2-carboxylic acid hydrazide and 3-hydroxy-benzaldehyde in ethanol. In the crystal structure, the organic mol-ecules are linked into extended chains by inter-molecular N(amide)-H⋯O(hydr-oxy) hydrogen bonds. Additional hydrogen bonds between the water mol-ecule and three adjacent organic mol-ecules, as well as face-to-face π-π stacking inter-actions between the benzene and pyrazine rings [centroid-to-centroid separation = 3.669 (2) Å and offset = 1.362 Å], link the mol-ecules into a three-dimensional framework.

摘要

标题化合物C(12)H(10)N(4)O(2)·H(2)O是通过吡嗪-2-羧酸酰肼与3-羟基苯甲醛在乙醇中反应合成的。在晶体结构中，有机分子通过分子间的N(酰胺)-H⋯O(羟基)氢键连接成延伸链。水分子与三个相邻有机分子之间的额外氢键以及苯环和吡嗪环之间的面对面π-π堆积相互作用[质心到质心距离 = 3.669 (2) Å，偏移量 = 1.362 Å]，将分子连接成三维框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/d444205e68c4/e-64-00o82-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/784ea4fa60bc/e-64-00o82-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/f9e66024d9be/e-64-00o82-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/d444205e68c4/e-64-00o82-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/784ea4fa60bc/e-64-00o82-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/f9e66024d9be/e-64-00o82-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/407e/2915038/d444205e68c4/e-64-00o82-fig3.jpg

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