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

A first coordination compound of 2-aminobenzoxazole (2AB), namely, bis(2-aminobenzoxazole-kappa N-3)bis(acetato-kappa(2) 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 C2(1)/c, the cadmium ions coordinate two neutral 2AB molecules 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 substantially distorted octahedral. There are two relatively strong intramolecular hydrogen bonds in the complex molecule. Additionally, two intermolecular hydrogen bonds associate complex molecules into columns running in the [1 (1) over bar0] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the intermolecular interactions are from H center dot center dot center dot H contacts, 24.7% are from O center dot center dot center dot H/H center dot center dot center dot O contacts and 18.8% are from C center dot center dot center dot H/H center dot center dot center dot C contacts, while other contributions are from N center dot center dot center dot H/H center dot center dot center dot N and O center dot center dot center dot O contacts.