Bis[N-(2-hy-droxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis

Siti Artikah M Safbri; Siti Nadiah Abdul Halim; Mukesh M Jotani; Edward R T Tiekink

doi:10.1107/S2056989016000165

Bis[N-(2-hy-droxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis

Acta Crystallogr E Crystallogr Commun. 2016 Jan 13;72(Pt 2):158-63. doi: 10.1107/S2056989016000165. eCollection 2016 Feb 1.

Authors

Siti Artikah M Safbri¹, Siti Nadiah Abdul Halim¹, Mukesh M Jotani², Edward R T Tiekink³

Affiliations

¹ Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
² Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India.
³ Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.

Abstract

The title compound, [Cd(C6H12NOS2)2(C4H10N2)], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di-thio-carbamate ligands are chelating, forming similar Cd-S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine mol-ecule, which adopts a chair conformation, occupies the apical site. In the crystal, supra-molecular layers propagating in the ac plane are formed via hy-droxy-O-H⋯O(hy-droxy), hy-droxy-O-H⋯N(terminal-piperazine) and coordinated-piperazine-N-H⋯O(hy-droxy) hydrogen bonds; the layers also feature methine-C-H⋯S inter-actions 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(hy-droxy) inter-actions between them. An evaluation of the Hirshfeld surfaces confirms the importance of inter-molecular inter-actions involving oxygen and sulfur atoms.

Keywords: Hirshfeld surface analysis; crystal structure; dithiocarbamate; hydrogen bonding; piperazine.