Crystal structure of poly[[aqua­(μ2-pyrazine-κ2N:N′)(μ2-2,3,5,6-tetra­chloro­benzene-1,4-di­car­boxyl­ato-κ2O1:O4)copper(II)] hemihydrate]

IF 0.5 Q4 CRYSTALLOGRAPHY
Hitoshi Kumagai , Satoshi Kawata , Nobuhiro Ogihara
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引用次数: 0

Abstract

The CuII ions in this compound form a square-pyramidal coordination environment and are bridged by the Cl4bdc2− and pyz ligands to form a two-dimensional (2D) layer. The 2D layers are alternately stacked by hydrogen-bonding and C—Cl⋯π inter­actions to form a three-dimensional network.
The asymmetric unit of the title compound, {[Cu2(C8Cl4O4)2(C4H4N2)2(H2O)2]·H2O}n or {[Cu2(Cl4bdc)2(pyz)2(H2O)2]·H2O}n comprises of a CuII ion, one tetra­chloro­benzene­dicarboxyl­ate ion (Cl4bdc2−), one pyrazine ligand (pyz), and one and a half water mol­ecules. The CuII ion exhibits a five-coordinated square-pyramidal geometry with a CuN2O3 coordination environment comprising two oxygen atoms of the Cl4bdc2− ligands, one oxygen atom of a water mol­ecule, and two nitro­gen atoms of the pyz ligands. The carboxyl­ate group is almost perpendicular to the benzene ring and shows monodentate coordination to the CuII ion. The CuII ions of these units are bridged by both the Cl4bdc2− and pyz ligands to form two-dimensional (2D) layers, which are linked by alternating hydrogen-bonding and C—Cl⋯π inter­actions to yield a three-dimensional network.
聚[[水-(μ2-吡嗪-κ2 N:N')(μ2-2,3,5,6-四氯苯-1,4-二car-boxyl- -κ2 O:O 4)铜(II)]半水合物]的晶体结构。
标题化合物的不对称单元{[Cu2(C8Cl4O4)2(C4H4N2)2(H2O)2]·H2O} n或{[Cu2(Cl4bdc)2(pyz)2(H2O)2]·H2O} n由一个CuII离子、一个四氯苯二羧酸盐离子(Cl4bdc2-)、一个吡嗪配体(pyz)和一个半水分子组成。CuII离子呈五配位的方锥体结构,其配位环境由Cl4bdc2-配体的两个氧原子、水分子的一个氧原子和pyz配体的两个氮原子组成。羧酸基几乎垂直于苯环,与CuII离子呈单齿配位。这些单元的CuII离子由Cl4bdc2-和pyz配体桥接,形成二维(2D)层,它们通过交替的氢键和C-Cl⋯π相互作用连接,形成三维网络。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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