Coordination chemistry of the ligand 7-aza-1-hydroxy-benzotriazole. Crystal structures and antimicrobial activity of the catena-poly-[μ-chlorido(μ-7-aza-1-oxy-κ2N:O-benzotriazolyl-κN)]cobalt(II)methanol coordination polymer and of a new polymorph of the f

Reaction of cobalt chloride and 7-aza-1-hydroxy-benzotriazole (HOazbt) in alcoholic solution results in formation of the polymeric compound [Co(C5H3N4O)(CH3OH)Cl]n. The compound has been characterized by elemental analysis, IR spectroscopy, and its 3D structure was determined by X-ray diffraction. Also its antimicrobial activity was determined.The distorted octahedral high-spin cobalt(II) coordinated by both coordinated mono- and bidentate ionized HOazbt ligands, is featuring a two-dimensional (6, 4) honey-comb-like coordination polymer. The 2D hexagonal layers are interconnected with a strong O–H⋯O R22(8) second-level hydrogen bonding ring motif in the a-direction. A new free-ligand polymorph is found, and its 3D has been structure determined. H-bonding interactions in the three polymorphs are discussed using the DFT/MP2 and Hirshfeld surface calculations.

a-Axis projection showing the distorted (6, 4) two-dimensional honeycomb-like coordination polymer formed by reaction of 7-aza-1-hydroxy benzotriazole and CoCl2 in MeOH (Co, blue; Cl, green). O-H–O hydrogen bonding (dotted red lines) are extending in-between the layers. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)Figure optionsDownload as PowerPoint slide