- Title
- Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-kappa N-2(3),S]copper(II): crystal structure and Hirshfeld surface analysis
- Creator
- Yusof, Enis Nadia Md; Nasri, Nazhirah Muhammad; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.
- Relation
- ACTA Crystallographica Section E Crystallographic Communications Vol. 75, Issue 6, p. 794-799
- Publisher Link
- http://dx.doi.org/10.1107/S2056989019006145
- Publisher
- Wiley-Blackwell
- Resource Type
- journal article
- Date
- 2019
- Description
- 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.
- Subject
- crystal structure; copper; dithiocarbazato; Hirshfeld surface analysis
- Identifier
- http://hdl.handle.net/1959.13/1469990
- Identifier
- uon:48357
- Identifier
- ISSN:2056-9890
- Rights
- This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence (https://creativecommons.org/licenses/by/4.0/legalcode), which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
- Language
- eng
- Full Text
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