Abstract

The complete mol-ecule of the title hydrazine carbodi-thio-ate complex, [Ni(C19H21N2S2)2], is generated by the application of a centre of inversion. The NiII atom is N,S-chelated by two hydrazinecarbodi-thio-ate ligands, which provide a trans-N2S2 donor set that defines a distorted square-planar geometry. The conformation of the five-membered chelate ring is an envelope with the NiII atom being the flap atom. In the crystal, p-tolyl-C-H⋯π(benzene- i Pr), i Pr-C-H⋯π(p-tol-yl) and π-π inter-actions [between p-tolyl rings with inter-centroid distance = 3.8051 (12) Å] help to consolidate the three-dimensional architecture. The analysis of the Hirshfeld surface confirms the importance of H-atom contacts in establishing the packing.

Highlights

  • The complete molecule of the title hydrazine carbodithioate complex, [Ni(C19H21N2S2)2], is generated by the application of a centre of inversion

  • The conformation of the five-membered chelate ring is an envelope with the NiII atom being the flap atom

  • Nickel(II) dithiocarbazate has been reported to have non-linear optical (NLO) properties (Liu et al, 2016) with the potential to be used in signal processing (Bort et al, 2013; Hales et al, 2014), ultrafast optical communication, data storage, optical limiting (Price et al, 2015; Bouit et al, 2007), optical switching (Gieseking et al 2014; Thorley et al, 2008), logic devices and bio-imaging (Ahn et al, 2012; Zhu et al, 2016)

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Summary

Chemical context

Nickel(II) dithiocarbazate has been reported to have non-linear optical (NLO) properties (Liu et al, 2016) with the potential to be used in signal processing (Bort et al, 2013; Hales et al, 2014), ultrafast optical communication, data storage, optical limiting (Price et al, 2015; Bouit et al, 2007), optical switching (Gieseking et al 2014; Thorley et al, 2008), logic devices and bio-imaging (Ahn et al, 2012; Zhu et al, 2016). In line with our interest in evaluating the structures of different isomeric dithiocarbazate Schiff bases and their metal complexes, we report the synthesis of the title complex, (I), its X-ray crystal structure determination and a detailed study of the supramolecular association by an analysis of its Hirshfeld surface. A nearly orthogonal relationship exists between the chelate and p-tolyl rings, with the dihedral angle

Structural commentary
Analysis of the Hirshfeld surfaces
Supramolecular features
Database survey
Synthesis and crystallization
Refinement
H17 C18 H18 C19 H19A H19B H19C
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