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N'-(2-羟基-3-甲氧基亚苄基)-1,3-苯并二恶唑-5-碳酰肼一水合物

N'-(2-Hydr-oxy-3-methoxy-benzyl-idene)-1,3-benzodioxole-5-carbohydrazide monohydrate.

作者信息

Du Chun-Lin

机构信息

College of Chemical Engineering & Materials Science, Liaodong University, Dandong 118003, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o29. doi: 10.1107/S1600536808040117.

DOI:10.1107/S1600536808040117
PMID:21581672
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967948/
Abstract

Single crystals of the title compound, C(16)H(14)N(2)O(5)·H(2)O, were obtained from a condensation reaction of 1,3-benzodioxole-5-carbohydrazide and 3-methoxy-salicylaldehyde in a 95% ethanol solution. The asymmetric unit consists of a Schiff base mol-ecule, which assumes an E configuration with respect to the C=N bond, and a water mol-ecule of crystallization. The dihedral angle between the two substituted benzene rings is 12.7 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, forming layers parallel to the bc plane.

摘要

标题化合物C(16)H(14)N(2)O(5)·H(2)O的单晶是通过1,3-苯并二恶唑-5-碳酰肼与3-甲氧基水杨醛在95%乙醇溶液中的缩合反应得到的。不对称单元由一个席夫碱分子（其C=N键呈E构型）和一个结晶水分子组成。两个取代苯环之间的二面角为12.7 (2)°。在晶体结构中，分子通过分子间的N-H⋯O和O-H⋯O氢键相连，形成平行于bc平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68e4/2967948/ace7e58f9c1f/e-65-00o29-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68e4/2967948/5a7f72082ea8/e-65-00o29-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68e4/2967948/ace7e58f9c1f/e-65-00o29-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68e4/2967948/5a7f72082ea8/e-65-00o29-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68e4/2967948/ace7e58f9c1f/e-65-00o29-fig2.jpg

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