Bis(4-meth-oxy-chalcone 4-ethyl-thio-semi-carbazon-ato-κ2N1,S)zinc(II): crystal structure and Hirshfeld surface analysis.
The title ZnII complex, [Zn(C19H20N3OS)2] {systematic name: bis-[(N-ethyl-N'-{(Z)-[(2E)-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 ZnII ion within an N2S2 donor set provided by two N,S-chelating thio-semicarbazone anions. The resulting five-membered Zn,C,N2,S chelate rings adopt different conformations, i.e. almost planar and an envelope with the Zn atom being the flap atom. The configuration about the imine bond within the chelate ring is Z but those about the exocyclic imine and ethyl-ene bonds are E. In the crystal, supra-molecular [100] chains mediated by thio-amide-N-H⋯S(thione) hydrogen bonds and eight-membered thio-amide {⋯HNCS}2 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.
['Tan|Ming Yueh|MY|', 'Crouse|Karen A|KA|https://orcid.org/0000-0001-7494-9268', 'Ravoof|Thahira B S A|TBSA|', 'Jotani|Mukesh M|MM|', 'Tiekink|Edward R T|ERT|https://orcid.org/0000-0003-1401-1520']
crystal structure Hirshfeld surface analysis hydrogen bonding thio­semicarbazone zinc