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双(二甲基胺-κ)双[4-(1,2,4-三唑-1-基)苯甲酸根-κ]铜(II)

Bis-(di-methylamine-κ)bis[4-(1,2,4-triazol-1-yl)benzoato-κ]copper(II).

作者信息

Liu Lin, Han Zheng-Bo

机构信息

College of Chemistry, Liaoning University, Shenyang, 110036, People's Republic of China.

出版信息

IUCrdata. 2022 Jan 14;7(Pt 1):x220046. doi: 10.1107/S2414314622000463. eCollection 2022 Jan.

DOI:10.1107/S2414314622000463
PMID:36337093
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9028552/
Abstract

In the title compound, [Cu(CHNO)(CHN)], the Cu cation is situated on an inversion center and is coordinated by the N atoms of two di-methyl-amine ligands and the carboxyl-ate O atoms of two 4-(1,2,4-triazol-1-yl)benzoate anions, leading to a slightly distorted square-planar NO coordination environment. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the amine function and the central N atom of the triazole ring lead to the formation of ribbons parallel to [11]. Weak inter-molecular C-H⋯O hydrogen-bonding inter-actions are also observed that consolidate the crystal packing.

摘要

在标题化合物[Cu(CHNO)(CHN)]中,铜阳离子位于一个对称中心上,由两个二甲胺配体的N原子和两个4-(1,2,4-三唑-1-基)苯甲酸根阴离子的羧酸根O原子配位,形成一个稍有扭曲的平面正方形NO配位环境。在晶体中,胺官能团与三唑环中心N原子之间的分子间N-H⋯N氢键导致形成平行于[11]的带状结构。还观察到弱的分子间C-H⋯O氢键相互作用,这巩固了晶体堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f0c/9028552/8a9c8b4b6aaf/x-07-x220046-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f0c/9028552/131d88cd612a/x-07-x220046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f0c/9028552/8a9c8b4b6aaf/x-07-x220046-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f0c/9028552/131d88cd612a/x-07-x220046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f0c/9028552/8a9c8b4b6aaf/x-07-x220046-fig2.jpg

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