1. Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2N3,S]copper(II): crystal structure and Hirshfeld surface analysis
- Author
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Enis Nadia Md Yusof, Nazhirah Muhammad Nasri, Thahira B. S. A. Ravoof, Mukesh M. Jotani, and Edward R. T. Tiekink
- Subjects
crystal structure ,copper ,dithiocarbazato ,Hirshfeld surface analysis ,Crystallography ,QD901-999 - Abstract
The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)–π(furyl) [inter-centroid separation = 3.6950 (14) Å and angle of inclination = 5.33 (13)°] and phenyl-C—H...π(phenyl) interactions sustain supramolecular layers lying parallel to (\overline{1}02). The most prominent interactions between layers, as confirmed by an analysis of the calculated Hirshfeld surface, are phenyl-H...H(phenyl) contacts. Indications for Cu...Cg(furyl) contacts (Cu...Cg = 3.74 Å) were also found. Interaction energy calculations suggest the contacts between molecules are largely dispersive in nature.
- Published
- 2019
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