{"title":"Crystal structure of poly[[aqua(μ2-pyrazine-κ2N:N′)(μ2-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ2O1:O4)copper(II)] hemihydrate]","authors":"Hitoshi Kumagai , Satoshi Kawata , Nobuhiro Ogihara","doi":"10.1107/S2056989025003457","DOIUrl":null,"url":null,"abstract":"<div><div>The Cu<sup>II</sup> ions in this compound form a square-pyramidal coordination environment and are bridged by the Cl<sub>4</sub>bdc<sup>2−</sup> 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.</div></div><div><div>The asymmetric unit of the title compound, {[Cu<sub>2</sub>(C<sub>8</sub>Cl<sub>4</sub>O<sub>4</sub>)<sub>2</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O}<sub><em>n</em></sub> or {[Cu<sub>2</sub>(Cl<sub>4</sub>bdc)<sub>2</sub>(pyz)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O}<sub><em>n</em></sub> comprises of a Cu<sup>II</sup> ion, one tetrachlorobenzenedicarboxylate ion (Cl<sub>4</sub>bdc<sup>2−</sup>), one pyrazine ligand (pyz), and one and a half water molecules. The Cu<sup>II</sup> ion exhibits a five-coordinated square-pyramidal geometry with a CuN<sub>2</sub>O<sub>3</sub> coordination environment comprising two oxygen atoms of the Cl<sub>4</sub>bdc<sup>2−</sup> 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 Cu<sup>II</sup> ion. The Cu<sup>II</sup> ions of these units are bridged by both the Cl<sub>4</sub>bdc<sup>2−</sup> 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.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 5","pages":"Pages 429-432"},"PeriodicalIF":0.5000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025000775","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
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.
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.