Crystal structure and Hirshfeld surface analysis of bis-(6,7,8,9-tetra-hydro-11 H-pyrido[2,1- b]quinazolin-5-ium) tetra-chlorido-zincate

Acta Crystallogr E Crystallogr Commun. 2021 May 14;77(Pt 6):629-633. doi: 10.1107/S2056989021004989. eCollection 2021 Jun 1.

Abstract

The title compound, (C12H15N2)2[ZnCl4], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetra-hedral chloro-zincate dianion. N-H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one formula unit. The effect of hydrogen bonding is reflected in the minor distortions of the [ZnCl4]2- moiety: distances between the cation and chlorido ligands engaged in classical hydrogen bonds are significantly longer than the others. Secondary inter-actions comprise C-H⋯π hydrogen bonding and weak π-π stacking. A Hirshfeld surface analysis indicates that the most abundant contacts in packing stem from H⋯H (47.8%) and Cl⋯H/H⋯Cl (29.3%) inter-actions.

Keywords: Hirshfeld surface; crystal structure; inter­molecular inter­actions; tricyclic quinazoline.

Grants and funding

This work was funded by the German Academic Exchange Service (DAAD), Germany grant .