Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)

Abstract

The title compound, [Cd(C14H16N3S)Cl] or [CdLCl] (1), where LH = 2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiol, was prepared and structurally characterized. The Cd2+ complex crystallizes in P21/c with a distorted trigonal–bipyramidal metal coordination geometry. Supramolecular interactions in 1 include parallel offset face-to-face interactions between inversion-related pyridyl rings and potential hydrogen bonds with chlorine or sulfur as the acceptor. Additional cooperative pyridyl–pyridyl interactions with roughly 45° tilt angles and centroid–centroid distances of less than 5.5 Å likely also contribute to the overall solid-state stability. Hirshfeld surface analysis indicates that H...H (51.2%), Cl...H/H...Cl (13.9%), C...H/H...C (12.3%) and S...H/H...S (11.8%) interactions are dominant in the solid state.

Keywords

• crystal structure
• hirshfeld surface analysis
• chelating n,s-ligands
• cd2+ complex