Title of article :
Bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ2S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
Author/Authors :
Safbri, Siti Artikah M. Department of Chemistry - University of Malaya, Malaysia , Abdul Halim, Siti Nadiah Department of Chemistry - University of Malaya, Malaysia , Jotani, Mukesh M. Department of Physics - Bhavan’s Sheth R. A. College of Science, India , Tiekink, Edward R. T. Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia
Abstract :
The title compound, [Cd(C6H12NOS2)2(C4H10N2)], features a distorted square-pyramidal coordination geometry about the central CdII atom. The dithiocarbamate ligands are chelating, forming similar Cd—S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine molecule, which adopts a chair conformation, occupies the apical site. In the crystal, supramolecular layers propagating in the ac plane are formed via hydroxy-O—H⋯O(hydroxy), hydroxy-O—H⋯N(terminal-piperazine) and coordinated-piperazine-N—H⋯O(hydroxy) hydrogen bonds; the layers also feature methine-C—H⋯S interactions and S⋯S [3.3714 (10) Å] short contacts. The layers stack along the b-axis direction with very weak terminal-piperazine-N—H⋯O(hydroxy) interactions between them. An evaluation of the Hirshfeld surfaces confirms the importance of intermolecular interactions involving oxygen and sulfur atoms.
Keywords :
crystal structure , Hirshfeld surface analysis , hydrogen bonding , dithiocarbamate , piperazine
Journal title :
Acta Crystallographica Section E: Crystallographic Communications