Crystal structure of catena-poly[[[di-chlorido-copper(II)]-{μ- tert-butyl N-methyl- N-[4-(6-{[4-(pyridin-2-yl-κ N)-1 H-1,2,3-triazol-1-yl-κ N3]meth-yl}-1,3-benzo-thia-zol-2-yl)phen-yl]carbamato}] aceto-nitrile monosolvate]

Abstract

In the title coordination polymer, {[CuCl₂(C₂₇H₂₆N₆O₂S)]·CH₃CN} _n , the copper(II) ion is fivefold coordinated, with an almost perfect square-pyramidal coordination sphere. In the equatorial plane, it is ligated to a pyridine N atom and an N atom of the triazole unit and to two Cl^- ions, while the apical position is occupied by the carbonyl O atom of the tert-butyl carbamate group. In the crystal, the polymer chains propagate in the [11-1] direction, with the aceto-nitrile solvent mol-ecules linked to the chain by C-H⋯N hydrogen bonds. The chains are linked by C-H⋯Cl hydrogen bonds forming sheets parallel to the plane (011). The crystal packing is further consolidated by C-H⋯π inter-actions and offset π-π stacking inter-actions [inter-centroid distance = 3.6805 (15) Å], forming a three-dimensional supra-molecular structure.

Keywords: Alzheimer’s disease; C—H⋯π inter­actions; copper(II) complex; crystal structure; hydrogen bonding; offset π–π inter­actions; pyridine–triazole.