Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethyl-ene-dioxy-thio-phene solvated bis-[1,3-bis-(penta-fluoro-phen-yl)propane-1,3-dionato]copper(II).

ABSTRACT: The title complex, Cu(L)₂ or [Cu(C₁₅HF₁₀O₂)₂], comprised of one copper ion and two fully fluorinated ligands (L ^-), was crystallized with 3,4-ethyl-ene-dioxy-thio-phene (EDOT, C₆H₆O₂S) as a guest mol-ecule to give in a di-chloro-methane solution a unique co-crystal, Cu(L)₂·3C₆H₆O₂S. In the crystal, the oxygen of one guest mol-ecule, EDOT-1, is coordinated to the metal to give an alternate linear arrangement, and the π-planes of the others, EDOT-2 and EDOT-3, inter-act weakly with the penta-fluoro-phenyl groups of the complex through arene-perfluoro-arene inter-actions. Head-to-tail columnar and head-to-head dimeric arrangements

SUBMITTER: Habuka Y 

PROVIDER: S-EPMC7273995 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature