Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-amino-benzoxazole.

Abstract

A first coordination compound of 2-amino-benzoxazole (2AB), namely, bis-(2-amino-benzoxazole-κN 3)bis-(acetato-κ2 O,O')cadmium(II), [Cd(CH3COO)2(2AB)2], has been synthesized from ethanol solutions of Cd(CH3(COO)2 and 2AB. In the monoclinic crystals with the space group C21/c, the cadmium ions coordinate two neutral 2AB mol-ecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substanti-ally distorted octa-hedral. There are two relatively strong intra-molecular hydrogen bonds in the complex mol-ecule. Additionally, two inter-molecular hydrogen bonds associate complex mol-ecules into columns running in the [10] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the inter-molecular inter-actions are from H⋯H contacts, 24.7% are from O⋯H/H⋯O contacts and 18.8% are from C⋯H/H⋯C contacts, while other contributions are from N⋯H/H⋯N and O⋯O contacts.