Abstract
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.
Highlights
N1—H1NÁ Á ÁS1i N4—H4NÁ Á ÁS2ii C36—H36Á Á ÁO1iii C16—H16Á Á ÁCg1iv C18—H18Á Á ÁCg2v C34—H34Á Á ÁCg3iv
The resulting N2S2 donor set defines a distorted tetrahedral geometry, with the range of angles subtended at the zinc atom being an acute
The most prominent feature of the molecular packing is the formation of supramolecular chains along the c-axis direction sustained by eight-membered thioamide {Á Á ÁHNCS}2 synthons, Fig. 2a and Table 2
Summary
With potentially five different substituents, thiosemicarbazone derivatives, R1R2C N—N(R3)—C( S)NR4R5 for R1–5 = H/alkyl/aryl, are numerous and multi-functional. In the context of the present report, it is noteworthy that ZnII thiosemicarbazone complexes have been explored as therapeutics for the treatment of cancer (Afrasiabi et al, 2003), viral diseases (Garoufis et al, 2009) and bacterial infections (Quiroga & Ranninger, 2004). Such considerations motivate our interest in this class of compound (Yusof et al, 2015). Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz; (ii) Àx þ 1; Ày þ 1; Àz þ 1; (iii) Àx þ 1; Ày; Àz þ 1; (iv) Àx þ 1; Ày; Àz; (v) x þ 1; y; z
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