Heteroligand copper(I) π-complex of 1-allyl-1H-benzotriazole and pyridine: synthesis, crystal structure and Hirshfeld surface analysis

By means of the alternating current electrochemical technique, a new heteroligand [Cu 2Cl2(1-Abtr)(Py)]2 complex (1-Abtr = 1-allyl-1H-benzotriazole, Py = pyridine) has been obtained and characterized by X-ray single crystal diffraction. Crystals of the title compound are monoclinic, space group P21/n, a = 10.6059(10), b = 8.9848(7), c = 17.1098(17) Å, β = 97.798(5)°, V = 1615.3(3) Å at 293 K, Z = 2. Dimeric [Cu2Cl2(1-Abtr)(Py)]2 fragments are formed in the structure. The 1Abtr moiety acts as a chelate-bridging ligand, being attached to the copper(I) ions via two triazole N atoms and the olefin C=C bond of th e ligand allyl group. The two copper atoms have distinctly different coordination environments: π-bonded Cu(I) ion adopts an approximately trigonal pyramidal surrounding, which includes a pyridine N atom, and the σ-bonded copper(I) ion a distorted tetrahedral surrounding, formed by two triazole N atoms and two bridging halogen ions. To visualize the interaction s between the fragments a Hirshfeld surface analysi s was performed.