The title Zn complex, [Zn(CHNS)], (I), features two independent but chemically equivalent mol-ecules in the asymmetric unit. In each, the thio-semicarbazonate monoanion coordinates the Zn atom the thiol-ate-S and imine-N atoms, with the resulting NS donor set defining a distorted tetra-hedral geometry. The five-membered ZnSCN chelate rings adopt distinct conformations in each independent mol-ecule, one ring is almost planar while the other is twisted about the Zn-S bond. In the crystal, the two mol-ecules comprising the asymmetric unit are linked by amine-N-H⋯N(imine) and amine-N-H⋯S(thiol-ate) hydrogen bonds an eight-membered heterosynthon, {⋯HNCN⋯HNCS}. The dimeric aggregates are further consolidated by benzene-C-H⋯S(thiol-ate) inter-actions and are linked into a zigzag supra-molecular chain along the axis amine-N-H⋯S(thiol-ate) hydrogen bonds. The chains are connected into a three-dimensional architecture phenyl-C-H⋯π(phen-yl) and π-π inter-actions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different inter-actions formed by the independent mol-ecules in the crystal and the impact of the π-π inter-actions between chelate and phenyl rings.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499278 | PMC |
http://dx.doi.org/10.1107/S2056989017008064 | DOI Listing |
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