A new hybrid inorganic-organic coordination copper(I) chloride π,σ-compound [Cu₄(C₁₈H₁₇N₅OS)₂Cl₄]∙2H₂O∙2С₃H₇OH based on N-phenyl-N'-{3-allylsulfanyl-4-amino-5-phenyl-4H-1,2,4-triazol-4-yl}urea: synthesis and structure characterization

Chem. Met. Alloys 14 (2021) 43-47

https://doi.org/10.30970/cma14.0419

Yurii SLYVKA, Аndrii FED’KO, Evgeny GORESHNIK, Vasyl KORDAN, Marian MYS’KIV

By means of alternating current electrochemical technique a new hybrid inorganic-organic π-complex [Cu^I₄(Atu)₂Cl₄]∙2H₂O∙2С₃H₇OH (1) (Atu = N-phenyl-N'-{3-allylsulfanyl-4-amino-5-phenyl-4H-1,2,4-triazol-4-yl}urea) has been synthesized and characterized by X-ray single-crystal diffraction. Crystals of 1 are monoclinic, space group P2₁/c, a = 16.0745(10), b = 18.0290(10), c = 8.9794(6) Å, β = 92.262(5)°, V = 2600.3(3) Å³ at 150 K, Z = 2. In the structure of 1, despite the presence of the urea fragment, Atu acts a chelating-bridging π,σ-ligand, connecting Cu(I) ions by means of allylic C=C bonds and triazole N donor atoms, into {Cu^I₂(Atu)₂}²⁺ dimers. The latter are connected by anionic {Cu₂Cl₄}^2– subunits into infinite ladder-like chain. Not less interesting is the fact that molecules of n-propanol and water are included in the crystal structure, since both these molecules, through N—H···O hydrogen bonding with the urea fragments of Atu, connect neighboring phenyl-urea substituents within the same infinite chain.

Infinite ladder-like coordination polymer in 1.

Keywords

1,2,4-Triazole / Copper(I) / π-Complex / Crystal structure