Bis(4-meth-oxy-chalcone 4-ethyl-thio-semi-carbazon-ato-κ,)zinc(II): crystal structure and Hirshfeld surface analysis.

Acta Crystallogr E Crystallogr Commun

Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.

Published: February 2018

The title Zn complex, [Zn(CHNOS)] {systematic name: bis-[(-ethyl-'-{()-[(2)-3-(4-meth-oxy-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-carb-am-im-id-o-yl)sulfanido]zinc(II)}, features a tetra-hedrally coordinated Zn ion within an NS donor set provided by two ,-chelating thio-semicarbazone anions. The resulting five-membered Zn,C,N,S chelate rings adopt different conformations, . almost planar and an envelope with the Zn atom being the flap atom. The configuration about the imine bond within the chelate ring is but those about the exocyclic imine and ethyl-ene bonds are . In the crystal, supra-molecular [100] chains mediated by thio-amide-N-H⋯S(thione) hydrogen bonds and eight-membered thio-amide {⋯HNCS} synthons are observed. A range of inter-actions, including C-H⋯O, C-H⋯π, C-H⋯π(chelate ring) and π(meth-oxy-benzene)-π(chelate ring) consolidate the packing. The Hirshfeld surface analysis performed on the title complex also indicates the influence of the inter-actions involving the chelate rings upon the packing along with the more conventional contacts.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956326PMC
http://dx.doi.org/10.1107/S2056989018000282DOI Listing

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