Structural characterization and Hirshfeld surface analysis of a CoII complex with imidazo[1,2- a]pyridine

Acta Crystallogr E Crystallogr Commun. 2018 Apr 17;74(Pt 5):600-606. doi: 10.1107/S2056989018003857. eCollection 2018 May 1.

Abstract

A new mononuclear tetra-hedral CoII complex, di-chlorido-bis-(imidazo[1,2-a]pyridine-κN1)cobalt(II), [CoCl2(C7H6N2)2], has been synthesized using a bioactive imidazo-pyridine ligand. X-ray crystallography reveals that the solid-state structure of the title complex exhibits both C-H⋯Cl and π-π stacking inter-actions in building supra-molecular assemblies. Indeed, the mol-ecules are linked by C-H⋯Cl inter-actions into a two-dimensional framework, with finite zero-dimensional dimeric units as building blocks, whereas π-π stacking plays a crucial role in building a supra-molecular layered network. An exhaustive investigation of the diverse inter-molecular inter-actions via Hirshfeld surface analysis enables contributions to the crystal packing of the title complex to be qu-anti-fied. The fingerprint plots associated with the Hirshfeld surface clearly display each significant inter-action involved in the structure, by qu-anti-fying them in an effective visual manner.

Keywords: CoII complex with imidazo­pyridine; Hirshfeld surface; crystal structure; fingerprint plot; noncovalent inter­actions; supra­molecular assembly.

Grants and funding

This work was funded by Science and Engineering Research Board grant SB/OS/PDF-524/2015–16 to S. K. Seth.