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二水合双(1H-咪唑-κN(3))双(4-硝基苯甲酸根-κO(1))镉

Diaqua-bis-(1H-imidazole-κN(3))bis-(4-nitro-benzoato-κO(1))cadmium.

作者信息

Mao Yan-Li, Yu Xiao-Ke, Lin Jian-Li

机构信息

Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1149. doi: 10.1107/S1600536812033739. Epub 2012 Aug 4.

DOI:10.1107/S1600536812033739
PMID:22969451
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435578/
Abstract

In the centrosymmetric title compound, [Cd(C(7)H(4)NO(4))(2)(C(3)H(4)N(2))(2)(H(2)O)(2)], the Cd(II) atom, located on an inversion center, is coordinated by two N atoms and four O atoms in an octa-hedral geometry. The inter-nal cohesion of the mol-ecule is enhanced by an intra-molecular O-H⋯O hydrogen bond. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonds and π-π contacts [centroid-centroid distance = 3.6549 (2) Å] define two-dimensional networks parallel to (001), which are further connected by weaker C-H⋯O inter-actions into a weakly connected three-dimensional supra-molecular framework.

摘要

在中心对称的标题化合物[Cd(C₇H₄NO₄)₂(C₃H₄N₂)₂(H₂O)₂]中,位于对称中心的Cd(II)原子由两个N原子和四个O原子以八面体几何构型配位。分子内的O—H⋯O氢键增强了分子的内聚性。分子间的O—H⋯O和C—H⋯O氢键以及π—π接触[质心-质心距离 = 3.6549 (2) Å]定义了平行于(001)的二维网络,这些网络通过较弱的C—H⋯O相互作用进一步连接成一个弱连接的三维超分子框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/a170794ce9c2/e-68-m1149-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/bb1398dba5bc/e-68-m1149-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/53bbd3614d34/e-68-m1149-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/a170794ce9c2/e-68-m1149-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/bb1398dba5bc/e-68-m1149-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/53bbd3614d34/e-68-m1149-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fd3/3435578/a170794ce9c2/e-68-m1149-fig3.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 11;67(Pt 1):m65. doi: 10.1107/S1600536810050117.
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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.