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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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 |
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. |
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