{"title":"聚[乙醇(μ-4-甲基吡啶 N-氧化物)二μ-硫代氰基钴(II)]的合成与晶体结构。","authors":"Christian Näther , Inke Jess","doi":"10.1107/S2056989024009058","DOIUrl":null,"url":null,"abstract":"<div><div>In the crystal structure of the title compound, the Co<sup>II</sup> cations are octahedrally coordinated by two bridging and one terminal thiocyanate anions, two bridging 4-methylpyridine <em>N</em>-oxide coligands and one ethanol molecule and linked into chains by single μ-1,3-bridging anionic ligands that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methylpyridine <em>N</em>-oxide coligands.</div></div><div><div>Reaction of 4-methylpyridine <em>N</em>-oxide and Co(NCS)<sub>2</sub> in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)<sub>2</sub>(4-methylpyridine <em>N</em>-oxide)(ethanol) or [Co(NCS)<sub>2</sub>(C<sub>6</sub>H<sub>7</sub>NO)(C<sub>2</sub>H<sub>6</sub>O)]<sub>n</sub>. The asymmetric unit of the title compound consists of one Co<sup>II</sup> cation, two crystallographically independent thiocyanate anions, one 4-methylpyridine <em>N</em>-oxide coligand and one ethanol molecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thiocyanate anions, two bridging 4-methylpyridine <em>N</em>-oxide coligands and one ethanol molecule, with a slightly distorted octahedral geometry. The cobalt cations are linked by single μ-1,3(<em>N</em>,<em>S</em>)-bridging thiocyanate anions into corrugated chains, that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methylpyridine <em>N</em>-oxide coligands. The layers are parallel to the <em>bc</em> plane and are separated by the methyl groups of the 4-methylpyridine <em>N</em>-oxide coligands. Within the layers, intralayer hydrogen bonding is observed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1029-1033"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451497/pdf/","citationCount":"0","resultStr":"{\"title\":\"Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-cobalt(II)]\",\"authors\":\"Christian Näther , Inke Jess\",\"doi\":\"10.1107/S2056989024009058\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the crystal structure of the title compound, the Co<sup>II</sup> cations are octahedrally coordinated by two bridging and one terminal thiocyanate anions, two bridging 4-methylpyridine <em>N</em>-oxide coligands and one ethanol molecule and linked into chains by single μ-1,3-bridging anionic ligands that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methylpyridine <em>N</em>-oxide coligands.</div></div><div><div>Reaction of 4-methylpyridine <em>N</em>-oxide and Co(NCS)<sub>2</sub> in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)<sub>2</sub>(4-methylpyridine <em>N</em>-oxide)(ethanol) or [Co(NCS)<sub>2</sub>(C<sub>6</sub>H<sub>7</sub>NO)(C<sub>2</sub>H<sub>6</sub>O)]<sub>n</sub>. The asymmetric unit of the title compound consists of one Co<sup>II</sup> cation, two crystallographically independent thiocyanate anions, one 4-methylpyridine <em>N</em>-oxide coligand and one ethanol molecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thiocyanate anions, two bridging 4-methylpyridine <em>N</em>-oxide coligands and one ethanol molecule, with a slightly distorted octahedral geometry. The cobalt cations are linked by single μ-1,3(<em>N</em>,<em>S</em>)-bridging thiocyanate anions into corrugated chains, that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methylpyridine <em>N</em>-oxide coligands. The layers are parallel to the <em>bc</em> plane and are separated by the methyl groups of the 4-methylpyridine <em>N</em>-oxide coligands. Within the layers, intralayer hydrogen bonding is observed.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 10\",\"pages\":\"Pages 1029-1033\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451497/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/S2056989024001981\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"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/S2056989024001981","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-cobalt(II)]
In the crystal structure of the title compound, the CoII cations are octahedrally coordinated by two bridging and one terminal thiocyanate anions, two bridging 4-methylpyridine N-oxide coligands and one ethanol molecule and linked into chains by single μ-1,3-bridging anionic ligands that are further connected into layers by pairs of μ-1,1(O,O)-bridging 4-methylpyridine N-oxide coligands.
Reaction of 4-methylpyridine N-oxide and Co(NCS)2 in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)2(4-methylpyridine N-oxide)(ethanol) or [Co(NCS)2(C6H7NO)(C2H6O)]n. The asymmetric unit of the title compound consists of one CoII cation, two crystallographically independent thiocyanate anions, one 4-methylpyridine N-oxide coligand and one ethanol molecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thiocyanate anions, two bridging 4-methylpyridine N-oxide coligands and one ethanol molecule, with a slightly distorted octahedral geometry. The cobalt cations are linked by single μ-1,3(N,S)-bridging thiocyanate anions into corrugated chains, that are further connected into layers by pairs of μ-1,1(O,O)-bridging 4-methylpyridine N-oxide coligands. The layers are parallel to the bc plane and are separated by the methyl groups of the 4-methylpyridine N-oxide coligands. Within the layers, intralayer hydrogen bonding is observed.
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.