Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso­seleno­cyanato­tris­(2-methyl­pyridine N-oxide)cobalt(II) and diiso­seleno­cyanato­tetra­kis­(2-methyl­pyridine N-oxide)cobalt(II)

IF 0.5 Q4 CRYSTALLOGRAPHY
Christian Näther , Inke Jess , W. T. A. Harrison (Editor)
{"title":"Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso­seleno­cyanato­tris­(2-methyl­pyridine N-oxide)cobalt(II) and diiso­seleno­cyanato­tetra­kis­(2-methyl­pyridine N-oxide)cobalt(II)","authors":"Christian Näther ,&nbsp;Inke Jess ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2056989024005073","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structures of the title compounds, which arose from the same reaction, consist of discrete complexes in which the cobalt cations are either in a CoN<sub>2</sub>O<sub>3</sub> trigonal–bipyramidal or a CoN<sub>2</sub>O<sub>4</sub> octa­hedral coordination.</p></div><div><p>The reaction of CoBr<sub>2</sub>, KNCSe and 2-methyl­pyridine <em>N</em>-oxide (C<sub>6</sub>H<sub>7</sub>NO) in ethanol leads to the formation of crystals of [Co(NCSe)<sub>2</sub>(C<sub>6</sub>H<sub>7</sub>NO)<sub>3</sub>] (<strong>1</strong>) and [Co(NCSe)<sub>2</sub>(C<sub>6</sub>H<sub>7</sub>NO)<sub>4</sub>] (<strong>2</strong>) from the same reaction mixture. The asymmetric unit of <strong>1</strong> is built up of one Co<sup>II</sup> cation, two NCSe<sup>−</sup> iso­seleno­cyanate anions and three 2-methyl­pyridine <em>N</em>-oxide coligands, with all atoms located on general positions. The asymmetric unit of <strong>2</strong> consists of two cobalt cations, four iso­seleno­canate anions and eight 2-methyl­pyridine <em>N</em>-oxide coligands in general positions, because two crystallographically independent complexes are present. In compound <strong>1</strong>, the Co<sup>II</sup> cations are fivefold coordinated to two terminally N-bonded anionic ligands and three 2-methyl­pyridine <em>N</em>-oxide coligands within a slightly distorted trigonal–bipyramidal coordination, forming discrete complexes with the O atoms occupying the equatorial sites. In compound <strong>2</strong>, each of the two complexes is coordinated to two terminally N-bonded iso­seleno­cyanate anions and four 2-methyl­pyridine <em>N</em>-oxide coligands within a slightly distorted <em>cis</em>-CoN<sub>2</sub>O<sub>4</sub> octa­hedral coordination geometry. In the crystal structures of <strong>1</strong> and <strong>2</strong>, the complexes are linked by weak C—H⋯Se and C—H⋯O contacts. Powder X-ray diffraction reveals that neither of the two compounds were obtained as a pure crystalline phase.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 704-708"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","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/S2056989024001518","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 crystal structures of the title compounds, which arose from the same reaction, consist of discrete complexes in which the cobalt cations are either in a CoN2O3 trigonal–bipyramidal or a CoN2O4 octa­hedral coordination.

The reaction of CoBr2, KNCSe and 2-methyl­pyridine N-oxide (C6H7NO) in ethanol leads to the formation of crystals of [Co(NCSe)2(C6H7NO)3] (1) and [Co(NCSe)2(C6H7NO)4] (2) from the same reaction mixture. The asymmetric unit of 1 is built up of one CoII cation, two NCSe iso­seleno­cyanate anions and three 2-methyl­pyridine N-oxide coligands, with all atoms located on general positions. The asymmetric unit of 2 consists of two cobalt cations, four iso­seleno­canate anions and eight 2-methyl­pyridine N-oxide coligands in general positions, because two crystallographically independent complexes are present. In compound 1, the CoII cations are fivefold coordinated to two terminally N-bonded anionic ligands and three 2-methyl­pyridine N-oxide coligands within a slightly distorted trigonal–bipyramidal coordination, forming discrete complexes with the O atoms occupying the equatorial sites. In compound 2, each of the two complexes is coordinated to two terminally N-bonded iso­seleno­cyanate anions and four 2-methyl­pyridine N-oxide coligands within a slightly distorted cis-CoN2O4 octa­hedral coordination geometry. In the crystal structures of 1 and 2, the complexes are linked by weak C—H⋯Se and C—H⋯O contacts. Powder X-ray diffraction reveals that neither of the two compounds were obtained as a pure crystalline phase.

二异硒氰四(2-甲基吡啶 N-氧化物)钴(II)和二异硒氰四(2-甲基吡啶 N-氧化物)钴(II)五倍配位和六倍配位复合物的合成及晶体结构
CoBr2、KNCSe 和 2-甲基吡啶 N-氧化物(C6H7NO)在乙醇中的反应导致从相同的反应混合物中生成 [Co(NCSe)2(C6H7NO)3] (1) 和 [Co(NCSe)2(C6H7NO)4] (2) 晶体。1 的不对称单元由一个 CoII 阳离子、两个 NCSe-异硒氰酸酯阴离子和三个 2-甲基吡啶 N-氧化物配位体组成,所有原子都位于一般位置。2 的不对称单元由两个钴阳离子、四个异硒氰酸酯阴离子和八个 2-甲基吡啶 N-氧化物配位体组成,因为存在两个晶体学上独立的复合物。在化合物 1 中,CoII 阳离子与两个末端 N 键阴离子配体和三个 2-甲基吡啶 N-氧化物副配体五次配位,呈略微扭曲的三叉双锥配位,形成离散的配合物,O 原子占据赤道位。在化合物 2 中,两个络合物分别与两个末端 N 键的异硒氰酸酯阴离子和四个 2-甲基吡啶 N-氧化物配位体配位,形成略微扭曲的顺式-CoN2O4 八面体配位几何结构。在 1 和 2 的晶体结构中,复合物通过微弱的 C-H...Se 和 C-H...O 触点相连。粉末 X 射线衍射显示,这两种化合物都不是纯晶相。
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 求助全文
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.
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信