Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-di­methyl­pyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-di­methyl­pyrazine) network

Christian Näther , Inke Jess
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Abstract

In the crystal structure of the title compound, the copper cations are each tetra­hedrally coordinated by two 2–3-di­methyl­pyrazine ligands and two chloride anions and linked into dinuclear units that are further connected into layers by bridging 2,3-di­methyl­pyrazine ligands.
Reaction of copper(I)chloride with 2,3-di­methyl­pyrazine in ethanol leads to the formation of the title compound, poly[[μ-chlorido-μ-(2,3-di­methyl­pyrazine)-copper(I)] ethanol hemisolvate], {[CuCl(C6H8N2)]·0.5C2H5OH}n or CuCl(2,3-di­methyl­pyrazine) ethanol hemisolvate. Its asymmetric unit consists of two crystallographically independent copper cations, two chloride anions and two 2,3-di­methyl­pyrazine ligands as well as one ethanol solvate mol­ecule in general positions. The ethanol mol­ecule is disordered and was refined using a split model. The methyl H atoms of the 2,3-di­methyl­pyrazine ligands are also disordered and were refined in two orientations rotated by 60° relative to each other. In the crystal structure, each copper cation is tetra­hedrally coordinated by two N atoms of two bridging 2,3-di­methyl­pyrazine ligands and two μ-1,1-bridg­ing chloride anions. Each of the two copper cations are linked by pairs of bridging chloride anions into dinuclear units that are further linked into layers via bridging 2,3-di­methyl­pyrazine coligands. These layers are stacked in such a way that channels are formed in which the disordered solvent mol­ecules are located. The topology of this network is completely different from that observed in the two polymorphic modifications of CuCl(2,3-di­methyl­pyrazine) reported in the literature [Jess & Näther (2006). Inorg. Chem.45, 7446–7454]. Powder X-ray diffraction measurements reveal that the title compound is unstable and transforms immediately into an unknown crystalline phase.
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聚[[μ-氯-μ-(2,3-二甲基吡嗪)-铜(I)]乙醇半异醇酸酯]的合成与晶体结构,它显示了一种新的异构 CuCl(2,3-二甲基吡嗪)网络。
氯化铜(I)与 2,3-二甲基吡嗪在乙醇中反应生成了标题化合物,即聚[[μ-氯-μ-(2,3-二甲基吡嗪)-铜(I)]乙醇半溶液酸盐],{[CuCl(C6H8N2)]-0.5C2H5OH} n 或 CuCl(2,3-二甲基吡嗪)乙醇半溶液酸盐。它的不对称单元由两个晶体学上独立的铜阳离子、两个氯阴离子、两个 2,3-二甲基吡嗪配体以及一个一般位置的乙醇溶解分子单元组成。乙醇分子单元是无序的,采用分裂模型进行了细化。2,3-二甲基吡嗪配体的甲基 H 原子也是无序的,并以两个相对旋转 60° 的方向进行了细化。在晶体结构中,每个铜阳离子都由两个桥接的 2,3-二甲基吡嗪配体的两个 N 原子和两个μ-1,1-桥接的氯阴离子四面体配位。每两个铜阳离子通过成对的桥接氯阴离子连接成双核单元,再通过桥接 2,3-二甲基吡嗪配体连接成层。这些层的堆叠方式形成了通道,而无序的溶剂分子则位于通道中。该网络的拓扑结构与文献 [Jess & Näther (2006). Inorg. Chem. 45, 7446-7454] 中报道的 CuCl(2,3-二甲基吡嗪)的两种多晶型修饰物中观察到的拓扑结构完全不同。粉末 X 射线衍射测量显示,标题化合物并不稳定,会立即转变为未知的结晶相。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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