Recognition of self-assembled water-nitrate cluster in a Co(III)-2,2′-bipyridine host: Synthesis, X-ray structure, DNA cleavage, molecular docking and anticancer activity

Abstract

A mononuclear cobalt(III) complex [Co(bpy)2Cl2]NO3⋅2H2O (1) (bpy = 2,2′-bipyridine) has been synthesized and crystallographically characterized. Self-assembly of the lattice water molecules from rectangular tetrameric water cluster interacts with nitrate anion along the c-axis forming a six membered hexagonal water-nitrate cluster. It presents a new mode of association of water molecules with nitrate molecules which is not predicted theoretically or found experimentally. The molecule effectively cleaves bacterial genomic DNA and shows important cytotoxicity against human hepatocarcinoma cell (HepG2). This paper reports an X-ray crystallographic characterization of a Co(III)-bpy complex which also presents a new mode of association of water molecules with nitrate molecules which was not predicted theoretically or found experimentally or reported in literature. The molecule effectively cleaves bacterial genomic DNA and shows important cytotoxicity against human hepatocarcinoma cell (HepG2).