A neutral cubane with a ZnII 4O 4 core: tetra-benzoato-tetra- kis(3-hydroxydi-2-pyridylmethano-lato)tetra-zinc(II)-acetone-methanol (1/2/1)

Abstract

In the title compound, [Zn4 (C11H9N 2O2)4 (C7H5O2)4] ·2(CH3)2CO·CH3OH, the tetra-nuclear mol-ecule lies on a fourfold inversion axis. ZnII ions and 3-O atoms in the cubane core occupy alternating vertices, forming two inter-penetrating tetra-hedra. Each Zn II ion is further coordinated by two N atoms from two different (py)2C(OH)O ligands (py is pyrid-yl) and one O atom from a monodentate benzoate ligand, forming a distorted octa-hedral environment. The (py)2C(OH)O ligand acts in an 1:3:1:3 manner, forming two five-membered ZnNCCO chelating rings with two different ZnII atoms sharing a common C - O bond, and an alkoxide-type bond to a third Zn II ion. There are four symmetry-related intra-molecular O - H⋯O hydrogen bonds between the two types of ligands. In the asymmetric unit, there is a half-occupancy acetone solvent mol-ecule and a half-occupancy methanol solvent molecule that lies on a twofold rotation axis.