Bis(N′-{(E)-[(2E)-1,3-di­phenyl­prop-2-en-1-yl­idene]amino}-N-ethyl­carbamimido­thio­ato-κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications

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