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一种具有不对称联吡啶配体的汞配位聚合物的晶体结构:聚[[[二氯汞(II)]-μ-(吡啶-4-基甲基)吡啶-3-胺-κ:']氯仿半溶剂化物]

Crystal structure of an Hg coordination polymer with an unsymmetrical dipyridyl ligand: -poly[[[di-chlorido-mercury(II)]-μ--(pyridin-4-ylmeth-yl)pyridin-3-amine-κ:'] chloro-form hemisolvate].

作者信息

Moon Suk-Hee, Kang Donghyun, Park Ki-Min

机构信息

Department of Food and Nutrition, Kyungnam College of Information and Technology, Busan 47011, Republic of Korea.

Department of Science Education, Kyungnam University, Changwon 51767, Republic of Korea.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Oct 4;72(Pt 11):1513-1516. doi: 10.1107/S2056989016015310. eCollection 2016 Nov 1.

DOI:10.1107/S2056989016015310
PMID:27840697
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5095822/
Abstract

The asymmetric unit of the title compound, {[HgCl]·0.5CHCl} ( = -(pyridin-4-ylmeth-yl)pyridin-3-amine, CHN), contains one Hg ion, one bridging ligand, two chloride ligands and a chloro-form solvent mol-ecule with half-occupancy that is disordered about a crystallographic twofold rotation axis. Each Hg ion is coordinated by two pyridine N atoms from two symmetry-related ligands and two chloride anions in a highly distorted tetra-hedral geometry with bond angles falling in the range 99.05 (17)-142.96 (7)°. Each ligand bridges two Hg ions, forming polymeric zigzag chains propagating in [010]. In the crystal, the chains are linked by inter-molecular N/C-H⋯Cl hydrogen bonds together with weak C-H⋯π inter-actions, resulting in the formation of a three-dimensional supra-molecular network, which is further stabilized by C-Cl⋯π inter-actions between the solvent chloro-form mol-ecules and the pyridine rings of [chloride-to-centroid distances = 3.442 (11) and 3.626 (13) Å]. In addition, weak Cl⋯Cl contacts [3.320 (5) Å] between the chloro-form solvent mol-ecules and the coordinating chloride anions are also observed.

摘要

标题化合物{[HgCl]·0.5CHCl}(= -(吡啶-4-基甲基)吡啶-3-胺,CHN)的不对称单元包含一个Hg离子、一个桥连配体、两个氯配体和一个占据率为一半的氯仿溶剂分子,该溶剂分子围绕一个晶体学二重旋转轴无序排列。每个Hg离子由来自两个对称相关配体的两个吡啶N原子和两个氯离子以高度扭曲的四面体几何构型配位,键角范围为99.05 (17)-142.96 (7)°。每个配体桥连两个Hg离子,形成在[010]方向传播的聚合之字形链。在晶体中,这些链通过分子间N/C-H⋯Cl氢键以及弱C-H⋯π相互作用相连,形成三维超分子网络,溶剂氯仿分子与吡啶环之间的C-Cl⋯π相互作用[氯到质心距离 = 3.442 (11) 和3.626 (13) Å]进一步稳定了该网络。此外,还观察到氯仿溶剂分子与配位氯离子之间的弱Cl⋯Cl接触[3.320 (5) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/8e9f80d21436/e-72-01513-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/168e1405eed7/e-72-01513-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/bb1632dda82b/e-72-01513-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/8e9f80d21436/e-72-01513-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/168e1405eed7/e-72-01513-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/bb1632dda82b/e-72-01513-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ab5/5095822/8e9f80d21436/e-72-01513-fig3.jpg

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