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

 

Chem. Met. Alloys 10 (2017) 12-17

 

Yurii SLYVKA, Evgeny GORESHNIK, Marian MYS’KIV

 

By means of the alternating current electrochemical technique, a new heteroligand [Cu2Cl2(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) Å3 at 293 K, Z = 2. Dimeric [Cu2Cl2(1‑Abtr)(Py)]2 fragments are formed in the structure. The 1-Abtr 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 the 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 interactions between the fragments a Hirshfeld surface analysis was performed.

 

 

Dimeric [Cu2Cl2(1-Abtr)(Py)]2 fragment in structure 1.

 

Keywords

1,2,3-Triazole / Pyridine / Copper(I) / π-Complex / Crystal structure