{"title":"Synthesis, crystal structure and Hirshfeld analysis of a novel supramolecular compound [Co(tsc)3]2[Co(cit)2](NO3)4·4H2O","authors":"Guzal Nuralieva , Oydinoy Umirzakova , Batirbay Torambetov , Abdusamat Rasulov , Jamshid Ashurov , Shakhnoza Kadirova","doi":"10.1107/S2056989025001136","DOIUrl":null,"url":null,"abstract":"<div><div>The molecular and crystal structures of the coordination compound [Co(tsc)<sub>3</sub>]<sub>2</sub>[Co(cit)<sub>2</sub>](NO<sub>3</sub>)<sub>4</sub>·4H<sub>2</sub>O are reported. Fingerprint plots were generated to investigate various intermolecular interactions.</div></div><div><div>A new cobalt complex, bis[tris(aminothiourea)cobalt(III)] bis[2-(carboxymethyl)-2-hydroxybutanedioato]cobalt(II) tetranitrate tetrahydrate, [Co(CH<sub>5</sub>N<sub>3</sub>S)<sub>3</sub>][Co(C<sub>6</sub>H<sub>6</sub>O<sub>7</sub>)<sub>2</sub>]<sub>0.5</sub>(NO<sub>3</sub>)<sub>2</sub>·2H<sub>2</sub>O, designated as [Co(tsc)<sub>3</sub>]<sub>2</sub>[Co(cit)<sub>2</sub>](NO<sub>3</sub>)<sub>4</sub>·4H<sub>2</sub>O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thiosemicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexacoordinated by two citrate anions in a distorted octahedral geometry. Additionally, two water molecules and two nitrate anions are present in the asymmetric unit. Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding interactions that contribute significantly to the overall cohesion of the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 3","pages":"Pages 248-251"},"PeriodicalIF":0.5000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11891588/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/S2056989025000489","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 molecular and crystal structures of the coordination compound [Co(tsc)3]2[Co(cit)2](NO3)4·4H2O are reported. Fingerprint plots were generated to investigate various intermolecular interactions.
A new cobalt complex, bis[tris(aminothiourea)cobalt(III)] bis[2-(carboxymethyl)-2-hydroxybutanedioato]cobalt(II) tetranitrate tetrahydrate, [Co(CH5N3S)3][Co(C6H6O7)2]0.5(NO3)2·2H2O, designated as [Co(tsc)3]2[Co(cit)2](NO3)4·4H2O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thiosemicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexacoordinated by two citrate anions in a distorted octahedral geometry. Additionally, two water molecules and two nitrate anions are present in the asymmetric unit. Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding interactions that contribute significantly to the overall cohesion of the crystal structure.
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.