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聚[[水合-(μ-吡嗪-κ:')(μ-2,3,5,6-四氯苯-1,4-二羧酸根-κ: )铜(II)]]半水合物的晶体结构

Crystal structure of poly[[aqua-(μ-pyrazine-κ :')(μ-2,3,5,6-tetra-chloro-benzene-1,4-di-car-boxyl-ato-κ : )copper(II)] hemihydrate].

作者信息

Kumagai Hitoshi, Kawata Satoshi, Ogihara Nobuhiro

机构信息

Toyota Central R&D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192, Japan.

Department of Chemistry Fukuoka University 8-19-1 Nanakuma Jonan-ku Fukuoka 814-0180 Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Apr 24;81(Pt 5):429-432. doi: 10.1107/S2056989025003457. eCollection 2025 May 1.

DOI:10.1107/S2056989025003457
PMID:40336887
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12054766/
Abstract

The asymmetric unit of the title compound, {[Cu(CClO)(CHN)(HO)]·HO} or {[Cu(Clbdc)(pyz)(HO)]·HO} comprises of a Cu ion, one tetra-chloro-benzene-dicarboxyl-ate ion (Clbdc), one pyrazine ligand (pyz), and one and a half water mol-ecules. The Cu ion exhibits a five-coordinated square-pyramidal geometry with a CuNO coordination environment comprising two oxygen atoms of the Clbdc ligands, one oxygen atom of a water mol-ecule, and two nitro-gen atoms of the pyz ligands. The carboxyl-ate group is almost perpendicular to the benzene ring and shows monodentate coordination to the Cu ion. The Cu ions of these units are bridged by both the Clbdc and pyz ligands to form two-dimensional (2D) layers, which are linked by alternating hydrogen-bonding and C-Cl⋯π inter-actions to yield a three-dimensional network.

摘要

标题化合物{[Cu(CClO)(CHN)(HO)]·HO}或{[Cu(Clbdc)(pyz)(HO)]·HO}的不对称单元由一个铜离子、一个四氯苯二甲酸根离子（Clbdc）、一个吡嗪配体（pyz）和一个半水分子组成。铜离子呈现五配位的四方锥几何构型，其CuNO配位环境包括Clbdc配体的两个氧原子、一个水分子的氧原子以及pyz配体的两个氮原子。羧酸根基团几乎垂直于苯环，并以单齿方式与铜离子配位。这些单元的铜离子通过Clbdc和pyz配体桥连形成二维（2D）层，这些层通过交替的氢键和C-Cl⋯π相互作用连接，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32e/12054766/be202a845bd3/e-81-00429-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32e/12054766/81e745d0e837/e-81-00429-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32e/12054766/be202a845bd3/e-81-00429-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32e/12054766/81e745d0e837/e-81-00429-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32e/12054766/be202a845bd3/e-81-00429-fig2.jpg

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