Home – Home – Jornals – Journal of Structural Chemistry 2015 number 6

Copper(I) π complexes with 2-allylamino-5-phenyl-1,3,4-thiadiazole (C₁₁H₁₁N₃S) of the composition [CuCl(C₁₁H₁₁N₃S)] (1) and [Cu(C₁₁H₁₁N₃S)(H₂O)(CH₃CN)]₂SiF₆×2CH₃CN (2) are obtained by alternating current electrochemical synthesis and studied by single crystal X-ray diffraction. In both structures, the L molecule coordinates to the Cu(I) atom by the C=C bond of the allyl group and the N3 atom of the 1,3,4-thiadiazole core. In 1, the coordination environment of the metal atom is completed to trigonal by one terminal halogen atom, and in 2, it is completed to the tetrahedral environment by the acetonitrile N atom and the O atom of a water molecule. The bridging function of the organic ligand in 1 leads to the formation of coordination chains {CuCl(C₁₁H₁₁N₃S)}_¥, whereas cationic p complex 2 is formed from monomeric {Cu(C₁₁H₁₁N₃S)(H₂O)(CH₃CN)}⁺ cations and anions. A branched system of O-H⋯F, O-H⋯N, and N-H⋯F hydrogen bonds in compound 2 forms hydrogen-bonded layers.