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

Abstract

A first coordination compound of 2-aminobenzoxazole (2AB), namely, bis(2-aminobenzoxazole-κN3)bis(acetato-κ2O,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 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\overline{1}0] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the intermolecular interactions 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.

Keywords

• crystal structure
• molecular structure
• cadmium complex
• 2-aminobenzoxazole
• hirshfeld surface analysis