{"title":"具有特殊CuI亚结构的聚[μ-2,6-二甲基吡嗪-μ3-碘-μ2-碘-二铜(I)]的合成与晶体结构","authors":"Christian Näther","doi":"10.1107/S2056989026007358","DOIUrl":null,"url":null,"abstract":"<div><div>The asymmetric unit of the title compound, [Cu<sub>2</sub>I<sub>2</sub>(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)]<sub><em>n</em></sub>, consists of six crystallographically independent Cu<sup>I</sup> cations, six unique iodide anions and three independent 2,6-dimethylpyrazine ligands, all of them located in general positions. Three of the six copper cations display trigonal planar coordinations (one 2,6-dimethylpyrazine ligand and two iodide ions), whereas the remaining cations are tetrahedrally coordinated (one 2,6-dimethylpyrazine ligand and three iodide ions). In the extended structure, two different CuI substructures are observed. In one of them, discrete (CuI)<sub>4</sub> units are observed, which show a ladder-like arrangement. Two of the cations are threefold, the other two cations are fourfold coordinated and are linked by two μ-1,1 and two μ-1,1,1 bridging iodide anions. In the other substructure (CuI)<sub>2</sub> rings built up of one threefold and one fourfold coordinated copper cation as well as one μ-1,1 and one μ-1,1,1 bridging iodide anion are connected into chains. These CuI substructures are linked by bridging 2,6-dimethylpyrazine ligands into layers that lie parallel to the <em>ab</em> plane. The layers are connected by a number of C—H⋯I interactions. Analyzing the CuI substructures in related copper(I) iodide coordination compounds with pyrazine derivatives as neutral ligands revealed that the same ladder-like CuI substructure is observed in all of them, which is completely different from that observed in the title compound.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 957-962"},"PeriodicalIF":0.5000,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and crystal structure of poly[μ-2,6-dimethylpyrazine-μ3-iodido-μ2-iodido-dicopper(I)] with an unusual CuI substructure\",\"authors\":\"Christian Näther\",\"doi\":\"10.1107/S2056989026007358\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The asymmetric unit of the title compound, [Cu<sub>2</sub>I<sub>2</sub>(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)]<sub><em>n</em></sub>, consists of six crystallographically independent Cu<sup>I</sup> cations, six unique iodide anions and three independent 2,6-dimethylpyrazine ligands, all of them located in general positions. Three of the six copper cations display trigonal planar coordinations (one 2,6-dimethylpyrazine ligand and two iodide ions), whereas the remaining cations are tetrahedrally coordinated (one 2,6-dimethylpyrazine ligand and three iodide ions). In the extended structure, two different CuI substructures are observed. In one of them, discrete (CuI)<sub>4</sub> units are observed, which show a ladder-like arrangement. Two of the cations are threefold, the other two cations are fourfold coordinated and are linked by two μ-1,1 and two μ-1,1,1 bridging iodide anions. In the other substructure (CuI)<sub>2</sub> rings built up of one threefold and one fourfold coordinated copper cation as well as one μ-1,1 and one μ-1,1,1 bridging iodide anion are connected into chains. These CuI substructures are linked by bridging 2,6-dimethylpyrazine ligands into layers that lie parallel to the <em>ab</em> plane. The layers are connected by a number of C—H⋯I interactions. Analyzing the CuI substructures in related copper(I) iodide coordination compounds with pyrazine derivatives as neutral ligands revealed that the same ladder-like CuI substructure is observed in all of them, which is completely different from that observed in the title compound.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"82 8\",\"pages\":\"Pages 957-962\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2026-08-01\",\"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/S2056989026001969\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2026/8/12 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989026001969","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/8/12 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis and crystal structure of poly[μ-2,6-dimethylpyrazine-μ3-iodido-μ2-iodido-dicopper(I)] with an unusual CuI substructure
The asymmetric unit of the title compound, [Cu2I2(C6H8N2)]n, consists of six crystallographically independent CuI cations, six unique iodide anions and three independent 2,6-dimethylpyrazine ligands, all of them located in general positions. Three of the six copper cations display trigonal planar coordinations (one 2,6-dimethylpyrazine ligand and two iodide ions), whereas the remaining cations are tetrahedrally coordinated (one 2,6-dimethylpyrazine ligand and three iodide ions). In the extended structure, two different CuI substructures are observed. In one of them, discrete (CuI)4 units are observed, which show a ladder-like arrangement. Two of the cations are threefold, the other two cations are fourfold coordinated and are linked by two μ-1,1 and two μ-1,1,1 bridging iodide anions. In the other substructure (CuI)2 rings built up of one threefold and one fourfold coordinated copper cation as well as one μ-1,1 and one μ-1,1,1 bridging iodide anion are connected into chains. These CuI substructures are linked by bridging 2,6-dimethylpyrazine ligands into layers that lie parallel to the ab plane. The layers are connected by a number of C—H⋯I interactions. Analyzing the CuI substructures in related copper(I) iodide coordination compounds with pyrazine derivatives as neutral ligands revealed that the same ladder-like CuI substructure is observed in all of them, which is completely different from that observed in the title compound.
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.