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Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ(2) N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

The title Zn(II) complex, [Zn(C(18)H(18)N(3)S)(2)], (I), features two independent but chemically equivalent mol­ecules in the asymmetric unit. In each, the thio­semicarbazonate monoanion coordinates the Zn(II) atom via the thiol­ate-S and imine-N atoms, with the resulting N(2)S(2) donor set defining...

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Detalles Bibliográficos
Autores principales: Tan, Ming Yueh, Crouse, Karen A., Ravoof, Thahira B. S. A., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499278/
https://www.ncbi.nlm.nih.gov/pubmed/28775870
http://dx.doi.org/10.1107/S2056989017008064
Descripción
Sumario:The title Zn(II) complex, [Zn(C(18)H(18)N(3)S)(2)], (I), features two independent but chemically equivalent mol­ecules in the asymmetric unit. In each, the thio­semicarbazonate monoanion coordinates the Zn(II) atom via the thiol­ate-S and imine-N atoms, with the resulting N(2)S(2) donor set defining a distorted tetra­hedral geometry. The five-membered ZnSCN(2) chelate rings adopt distinct conformations in each independent mol­ecule, i.e. one ring is almost planar while the other is twisted about the Zn—S bond. In the crystal, the two mol­ecules comprising the asymmetric unit are linked by amine-N—H⋯N(imine) and amine-N—H⋯S(thiol­ate) hydrogen bonds via an eight-membered heterosynthon, {⋯HNCN⋯HNCS}. The dimeric aggregates are further consolidated by benzene-C—H⋯S(thiol­ate) inter­actions and are linked into a zigzag supra­molecular chain along the c axis via amine-N—H⋯S(thiol­ate) hydrogen bonds. The chains are connected into a three-dimensional architecture via phenyl-C—H⋯π(phen­yl) and π–π inter­actions, 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 inter­actions formed by the independent mol­ecules in the crystal and the impact of the π–π inter­actions between chelate and phenyl rings.