The interplay of thiophilic and hydrogen bonding interactions in the supramolecular architecture of phenylmercury 4-hydroxypiperidine dithiocarbamate

•A new organomercury(II)dithiocarbamate complex synthesized.•Compound was investigated via multi-technique experimental approach.•Intermolecular Hg···S interactions lead to a “head-to-tail” dimer.•Presence of a hydroxyl group generates a 1D-chain network.

A new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)4CH(OH)], (1) has been synthesized and characterized by elemental analyses, IR, 1H and 13C NMR spectroscopy and X-ray crystallography. The crystal structure of 1 shows a linear arrangement at the Hg(II) centre of the molecule through bonding of the sulphur atom of the dithiocarbamate ligand and the carbon atom of the aromatic ring. Weak intermolecular thiophilic Hg···S interactions lead to a “head-to-tail” dimer and the presence of a hydroxyl group at the periphery of piperidine moiety generates a 1D-chain network through intermolecular O···H interactions. The nature of weak intra- and intermolecular Hg···S, H···S and intermolecular O···H interactions have been assessed with the help of ab initio calculations and atoms-in-molecules (AIM) approach.

Graphical abstractA new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)4CH(OH)] synthesized and characterized using integrated experimental and computational approach.Figure optionsDownload full-size imageDownload as PowerPoint slide