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

IF 0.6 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-09-01 Epub Date: 2024-09-24 DOI:10.1107/S2056989024009174
Christian Näther , Inke Jess
{"title":"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","authors":"Christian Näther ,&nbsp;Inke Jess","doi":"10.1107/S2056989024009174","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div><div><div>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(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)]·0.5C<sub>2</sub>H<sub>5</sub>OH}<sub>n</sub> 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 <em>via</em> 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 &amp; Näther (2006). <em>Inorg. Chem.</em><strong>45</strong>, 7446–7454]. Powder X-ray diffraction measurements reveal that the title compound is unstable and transforms immediately into an unknown crystalline phase.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1059-1063"},"PeriodicalIF":0.6000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451487/pdf/","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/S205698902400207X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/9/24 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0

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.

Abstract Image

Abstract Image

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
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.
期刊最新文献
Crystal structure of a π-conjugated N-donor ligand-bridged anionic bis-muth(III) iodide one-dimensional coordination polymer. Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-di-amino-pyrazine and 2,3,5,6-tetra-fluoro-terephthalic acid. Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa-aza-cyclo-tetra-decane-κ4 N 3,N 6,N 10,N 13)bis-(perchlorato-κO)nickel(II) from synchrotron data. Synthesis and crystal structure of poly[(2,6-di-methyl-py-ra-zine-κN 4)(μ3-thiocyanato-κ3 N:S:S)copper(I)]. Synthesis and crystal structure of 2-(benzo[d]thia-zol-2-yl)-N'-[(E)-1-(4-bromo-phen-yl)ethyl-idene]acetohydrazide.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1