Crystal interaction, Hirshfeld surface analysis, and spectral analysis of new Dithiocarbazate Schiff bases derivative (LH) and its neutral cis-Cu(L)2 complex

The reaction of S-benzyldithiocarbazate with 4-Methoxyacetophenone resulted in the formation of bidentate N,S Schiff base LH (LH = (E)-benzyl 2-(1-(4-methoxyphenyl)ethylidene) hydrazine-carbodithioate) which was further reacted with a copper(II) salt to yield bis-chelated cis-Cu(L)(2) inner complex. Both the desired LH and its cis-Cu(L)(2) complex have been characterized by XRD-crystal analysis. It is found that in the solid-state the LH existed in a thione tautomeric form, while the deprotonated L- was found to chelate with the Cu(II) center via neutral nitrogen atom in azomethine. The ionic sulfur of thiol yielded a tetrahedral distorted square planar cis-Cu(L)(2) geometry. The IR, MS, XRD-powder and UV-vis-spectra of the free ligand, before and after bonding to Cu(II) center were carried out. Hirshfeld surface analysis (HSA) reflected the presence of the H center dot center dot center dot O and H center dot center dot center dot S strong hydrogen bonds as the main interactions in lattices of both LH and cis-Cu(L)(2) which correlated well with experimental XRD-packing result. (c) 2020 Elsevier B.V. All rights reserved.

Automated summary

Reaction between S-benzyldithiocarbazate and 4-Methoxyacetophenone yielded bidentate N,S Schiff base LH, which further reacted with a copper(II) salt to form cis-Cu(L)(2) complex. In solid state, LH existed in thione tautomeric form and chelated with Cu(II) center. Experimental analysis indicated strong hydrogen bonds as the main interactions in LH and cis-Cu(L)(2).