Acta Crystallographica Section E: Crystallographic Communications | |
Bis(N′-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis | |
Tan, M.Y.1  Jotani, M.M.1  Ravoof, T.B.S.A.2  Crouse, K.A.3  Tiekink, E.R.T.4  | |
[1] Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia;Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia, Department of Chemistry, St Francis Xavier University, PO Box 5000, Antigonish, NS, Canada, B2G 2W5;Department of Physical Sciences, Faculty of Applied Sciences and Computing, Tunku Abdul Rahman, University College, 50932 Setapak, Kuala Lumpur, Malaysia;Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India | |
关键词: CRYSTAL STRUCTURE; ZINC; HYDROGEN BONDING; THIOSEMICARBAZONE; HIRSHFELD SURFACE ANALYSIS; | |
DOI : 10.1107/S2056989017008064 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 摘 要 】
The title ZnII complex, [Zn(C18H18N3S)2], (I), features two independent but chemically equivalent molecules in the asymmetric unit. In each, the thiosemicarbazonate monoanion coordinates the ZnII atom via the thiolate-S and imine-N atoms, with the resulting N2S2 donor set defining a distorted tetrahedral geometry. The five-membered ZnSCN2 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.
【 授权许可】
CC BY
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