Crystal structure of catena-poly[[[di-chlorido-copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN3]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.

SUBMITTER: Pocinho A 

PROVIDER: S-EPMC5956327 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature