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Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-kappa N-2(3),S]copper(II): crystal structure and Hirshfeld surface analysis

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posted on 2025-05-09, 19:46 authored by Enis Nadia Md Yusof, Nazhirah Muhammad Nasri, Thahira B. S. A. Ravoof, Mukesh M. Jotani, Edward R. T. Tiekink
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.

History

Journal title

ACTA Crystallographica Section E Crystallographic Communications

Volume

75

Issue

6

Pagination

794-799

Publisher

Wiley-Blackwell

Language

  • en, English

College/Research Centre

Faculty of Science

School

School of Environmental and Life Sciences

Rights statement

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.

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