Abstract
The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII 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.
Highlights
Chemical contextDithiocarbazates, derived from sulfur–nitrogen donor ligands were first reviewed in the 1970s (Ali & Livingstone, 1974)
Schiff base derived from S-benzyldithiocarbazate and 2-hydroxy-5-(phenyldiazenyl)benzaldehyde against a human cervical cancer line (HeLa) (Kongot et al, 2019)
The molecular structure of (I), Fig. 1, has the CuII atom located on a crystallographic centre of inversion and coordinated by two chelating dithiocarbazate anions, each via the thiolate-S and imine-N atoms (Table 1)
Summary
Dithiocarbazates, derived from sulfur–nitrogen donor ligands were first reviewed in the 1970s (Ali & Livingstone, 1974) These Schiff base molecules are readily prepared from the reaction of primary amines with aldehydes or ketones and are potentially multidentate ligands for metals (Ali et al, 2005; Mokhtaruddin et al, 2017). A copper(II) dithiocarbazate complex containing a Schiff base derived from S-hexyldithiocarbazate and 4-methylbenzaldehyde was reported to have excellent anti-bacterial activity against Escherichia coli (Zangrando et al, 2017). As part of on-going studies in the structural chemistry and potential bioactivity of copper(II) complexes containing dithiocarbazate Schiff base ligands, the synthesis of the title copper(II) complex, (I), its single crystal X-ray diffraction analysis and a detailed study of supramolecular association by an analysis of calculated Hirshfeld surfaces and computation chemistry are described.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
