{"title":"Crystal structure of a solvated dinuclear CuII complex derived from 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea)","authors":"Canh Dinh Le , Hoang Phuc Nguyen , Chien Thang Pham","doi":"10.1107/S2056989024010703","DOIUrl":null,"url":null,"abstract":"<div><div>In the title compound, [Cu<sub>2</sub>(<em>L</em>)<sub>2</sub>]·2CH<sub>2</sub>Cl<sub>2</sub>, the Cu<sup>II</sup> ions coordinate two (<em>S</em>,<em>O</em>)-chelating aroylthiourea moieties of doubly deprotonated furan-2,5-dicarbonylbis(<em>N</em>,<em>N</em>-diethylthiourea) (<strong>H<sub>2</sub>L</strong>) ligands. The coordination geometry of the metal centers is best described as a flat isosceles trapezoid with a <em>cis</em> arrangement of the donor atoms.</div></div><div><div>Reaction between equimolar amounts of 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea) (<strong>H<sub>2</sub>L</strong>) and CuCl<sub>2</sub>·2H<sub>2</sub>O in methanol in the presence of the supporting base Et<sub>3</sub>N gave rise to a neutral dinuclear complex bis[μ-3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thioureato)]dicopper(II) dichloromethane disolvate, [Cu<sub>2</sub>(C<sub>16</sub>H<sub>22</sub>N<sub>4</sub>O<sub>3</sub>S<sub>2</sub>)<sub>2</sub>]·2CH<sub>2</sub>Cl<sub>2</sub> or [Cu<sub>2</sub>(<em>L</em>)<sub>2</sub>]·2CH<sub>2</sub>Cl<sub>2</sub>. The aroylbis(thioureas) are doubly deprotonated and the resulting anions {<em>L</em><sup>2–</sup>} bond to metal ions through (<em>S</em>,<em>O</em>)-chelating moieties. The copper atoms adopt a virtually <em>cis</em>-square-planar environment. In the crystal, adjacent [Cu<sub>2</sub>(<em>L</em>)<sub>2</sub>]·2CH<sub>2</sub>Cl<sub>2</sub> units are linked into polymeric chains along the <em>a-</em>axis direction by intermolecular coordinative Cu⋯S interactions. The co-crystallized solvent molecules play a vital role in the crystal packing. In particular, weak C—H<sub>furan</sub>⋯Cl and C—H<sub>ethyl</sub>⋯Cl contacts consolidate the three-dimensional supramolecular architecture.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1266-1269"},"PeriodicalIF":0.5000,"publicationDate":"2024-11-01","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/S2056989024002330","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
In the title compound, [Cu2(L)2]·2CH2Cl2, the CuII ions coordinate two (S,O)-chelating aroylthiourea moieties of doubly deprotonated furan-2,5-dicarbonylbis(N,N-diethylthiourea) (H2L) ligands. The coordination geometry of the metal centers is best described as a flat isosceles trapezoid with a cis arrangement of the donor atoms.
Reaction between equimolar amounts of 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea) (H2L) and CuCl2·2H2O in methanol in the presence of the supporting base Et3N gave rise to a neutral dinuclear complex bis[μ-3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thioureato)]dicopper(II) dichloromethane disolvate, [Cu2(C16H22N4O3S2)2]·2CH2Cl2 or [Cu2(L)2]·2CH2Cl2. The aroylbis(thioureas) are doubly deprotonated and the resulting anions {L2–} bond to metal ions through (S,O)-chelating moieties. The copper atoms adopt a virtually cis-square-planar environment. In the crystal, adjacent [Cu2(L)2]·2CH2Cl2 units are linked into polymeric chains along the a-axis direction by intermolecular coordinative Cu⋯S interactions. The co-crystallized solvent molecules play a vital role in the crystal packing. In particular, weak C—Hfuran⋯Cl and C—Hethyl⋯Cl contacts consolidate the three-dimensional supramolecular architecture.
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.