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氯化物桥联铜(II)二聚体的晶体结构:哌嗪 - 1,4 - 二铵双(二 - μ - 氯 - 双[(4 - 羧基吡啶 - 2 - 羧基 - κ,)氯合铜(II)] 。

Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis-(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxyl-ato-κ,)chlorido-cuprate(II)].

作者信息

Inah Bassey Enyi, Ayi Ayi Anyama, Adhikary Amit

机构信息

Inorganic Materials Chemistry Laboratory, Department of Pure and Applied Chemistry, University of Calabar, P.M.B. 1115-Calabar, Nigeria.

Department of Chemistry, Missouri University of Science and Technology, Rolla, MO 65409, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 27;73(Pt 2):246-249. doi: 10.1107/S2056989017001013. eCollection 2017 Feb 1.

DOI:10.1107/S2056989017001013
PMID:28217352
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5290575/
Abstract

Crystals of a new dimeric chloride-bridged cuprate(II) derived from pyridine-2,4-di-carb-oxy-lic acid were obtained solvothermally in the presence of piperazine and hydro-chloric acid. The crystal structure determination of the title salt, (CHN)[Cu(CHNO)Cl], revealed one of the carboxyl groups of the original pyridine-2,4-di-carb-oxy-lic acid ligand to be protonated, whereas the other is deprotonated and binds together with the pyridine N atom to the Cu atom. The coordination environment of the Cu atom is distorted square-pyramidal. One of the chloride ligands bridges two metal cations to form a centrosymmetric dimer with two different Cu-Cl distances of 2.2632 (8) and 2.7853 (8) Å, whereby the longer distance is associated with the apical ligand. The remaining chloride ligand is terminal at one of the basal positions, with a distance of 2.2272 (9) Å. In the crystal, the dimers are linked by inter-molecular O-H⋯O hydrogen bonds, together with N-H⋯O and N-H⋯Cl inter-actions involving the centrosymmetric organic cation, into a three-dimensional supra-molecular network. Further but weaker C-H⋯O and C-H⋯Cl inter-actions consolidate the packing.

摘要

在哌嗪和盐酸存在下,通过溶剂热法获得了一种由吡啶 - 2,4 - 二羧酸衍生的新型二聚体氯化物桥联铜酸盐(II)晶体。标题盐(CHN)[Cu(CHNO)Cl]的晶体结构测定表明,原始吡啶 - 2,4 - 二羧酸配体的一个羧基被质子化,而另一个去质子化并与吡啶N原子一起与Cu原子结合。Cu原子的配位环境为扭曲的四方锥。其中一个氯配体桥接两个金属阳离子,形成一个中心对称的二聚体,有两个不同的Cu - Cl距离,分别为2.2632 (8) Å和2.7853 (8) Å,较长的距离与顶端配体相关。其余的氯配体在一个基底位置为末端,距离为2.2272 (9) Å。在晶体中,二聚体通过分子间O - H⋯O氢键以及涉及中心对称有机阳离子的N - H⋯O和N - H⋯Cl相互作用连接成三维超分子网络。进一步但较弱的C - H⋯O和C - H⋯Cl相互作用巩固了堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf73/5290575/e9f1e692ee4a/e-73-00246-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf73/5290575/c58ea19abfd5/e-73-00246-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf73/5290575/e9f1e692ee4a/e-73-00246-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf73/5290575/c58ea19abfd5/e-73-00246-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf73/5290575/e9f1e692ee4a/e-73-00246-fig2.jpg

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