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四水双[1-(3-羧基苯基)-4,4'-联吡啶-1-鎓-κN]锌双(4,5-羧基苯-1,2-二羧酸)2.5水合物

Tetra-aqua-bis-[1-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium-κN]zinc bis-(4,5-carb-oxy-benzene-1,2-dicarboxyl-ate) 2.5-hydrate.

作者信息

Zhang Jie, Tan Yi, Fu Zhiyong

机构信息

Key Lab for Fuel Cell Technology of Guangdong Province, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1701-2. doi: 10.1107/S1600536811045156. Epub 2011 Nov 5.

DOI:10.1107/S1600536811045156
PMID:22199517
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238626/
Abstract

In the complex cation of the title compound, Zn(C(17)H(13)N(2)O(2))(2)(H(2)O)(4)(2)·2.5H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium ligands and four water mol-ecules in a distorted octa-hedral geometry. The pyromellitate anion is double deprotonated. O-H⋯O and C-H⋯O hydrogen bonds connect the cations, anions and uncoordinated water mol-ecules into a three-dimensional supra-molecular network. One of the two lattice water molecules shows an occupancy of 0.25. An intra-molecular O-H⋯O hydrogen bond is present in the anion.

摘要

在标题化合物Zn(C₁₇H₁₃N₂O₂)₂(H₂O)₄₂·2.5H₂O的络合阳离子中,位于对称中心的Zn(II)原子由来自两个N-(3-羧基苯基)-4,4'-联吡啶-1-鎓配体的两个N原子和四个水分子以扭曲的八面体几何构型配位。均苯四甲酸根阴离子是双去质子化的。O-H⋯O和C-H⋯O氢键将阳离子、阴离子和未配位的水分子连接成三维超分子网络。两个晶格水分子中的一个占有率为0.25。阴离子中存在分子内O-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/3238626/ebcb8df157a5/e-67-m1701-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/3238626/e499fe47e9f2/e-67-m1701-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/3238626/ebcb8df157a5/e-67-m1701-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/3238626/e499fe47e9f2/e-67-m1701-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/3238626/ebcb8df157a5/e-67-m1701-fig2.jpg

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