Bis[ S-benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ2 N 3, S]copper(II): crystal structure and Hirshfeld surface analysis

Enis Nadia Md Yusof; Nazhirah Muhammad Nasri; Thahira B S A Ravoof; Mukesh M Jotani; Edward R T Tiekink

doi:10.1107/S2056989019006145

Bis[ S-benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ² N ³, S]copper(II): crystal structure and Hirshfeld surface analysis

Acta Crystallogr E Crystallogr Commun. 2019 May 14;75(Pt 6):794-799. doi: 10.1107/S2056989019006145. eCollection 2019 Jun 1.

Authors

Enis Nadia Md Yusof^{1

2}, Nazhirah Muhammad Nasri^{1

3}, Thahira B S A Ravoof^{1

4}, Mukesh M Jotani⁵, Edward R T Tiekink⁶

Affiliations

¹ Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia.
² Discipline of Chemistry, School of Environmental and Life Sciences, University of Newcastle, University Drive, Callaghan, NSW 2308, Australia.
³ Department of Chemistry, St. Francis Xavier University, PO Box 5000, Antigonish, NS B2G 2W5, Canada.
⁴ Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia.
⁵ Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India.
⁶ Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.

Abstract

The title Cu^II complex, [Cu(C₁₃H₁₁N₂OS₂)₂], features a trans-N₂S₂ donor set as a result of the Cu^II atom being located on a crystallographic centre of inversion and being coordinated by thiol-ate-S and imine-N atoms derived from two di-thio-carbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)-π(fur-yl) [inter-centroid separation = 3.6950 (14) Å and angle of inclination = 5.33 (13)°] and phenyl-C-H⋯π(phen-yl) inter-actions sustain supra-molecular layers lying parallel to (02). The most prominent inter-actions between layers, as confirmed by an analysis of the calculated Hirshfeld surface, are phenyl-H⋯H(phen-yl) contacts. Indications for Cu⋯Cg(fur-yl) contacts (Cu⋯Cg = 3.74 Å) were also found. Inter-action energy calculations suggest the contacts between mol-ecules are largely dispersive in nature.

Keywords: Hirshfeld surface analysis; copper; crystal structure; dithiocarbazato.

Grants and funding

This work was funded by Universiti Putra Malaysia: Putra Group Initiative grant IPB No. 9581001. Research University Grant Scheme grant RUGS No. 9548700. Malaysian Fundamental Research Grant Scheme grant FRGS No. 01-01-16-1833FR.