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Bis[S-benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ2 N 3,S]copper(II): crystal structure and Hirshfeld surface analysis.

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 thiol-ate-S and imine-N atoms derived from two di-thio-carbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)-π(fur-yl) [inter-centroid separation = 3.6950 (14) Å and angle of inclination = 5.33 (13)°] and phenyl-C-H⋯π(phen-yl) inter-actions sustain supra-molecular layers lying parallel to (02). The most prominent inter-actions between layers, as confirmed by an analysis of the calculated Hirshfeld surface, are phenyl-H⋯H(phen-yl) contacts. Indications for Cu⋯Cg(fur-yl) contacts (Cu⋯Cg = 3.74 Å) were also found. Inter-action energy calculations suggest the contacts between mol-ecules are largely dispersive in nature.

SUBMITTER: Yusof ENM 

PROVIDER: S-EPMC6658952 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Bis[<i>S</i>-benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ<sup>2</sup> <i>N</i> <sup>3</sup>,<i>S</i>]copper(II): crystal structure and Hirshfeld surface analysis.

Yusof Enis Nadia Md ENM   Nasri Nazhirah Muhammad NM   Ravoof Thahira B S A TBSA   Jotani Mukesh M MM   Tiekink Edward R T ERT  

Acta crystallographica. Section E, Crystallographic communications 20190514 Pt 6

The title Cu<sup>II</sup> complex, [Cu(C<sub>13</sub>H<sub>11</sub>N<sub>2</sub>OS<sub>2</sub>)<sub>2</sub>], features a <i>trans</i>-N<sub>2</sub>S<sub>2</sub> donor set as a result of the Cu<sup>II</sup> atom being located on a crystallographic centre of inversion and being coordinated by thiol-ate-S and imine-N atoms derived from two di-thio-carbazate anions. The resulting geometry is distorted square-planar. In the crystal, π(chelate ring)-π(fur-yl) [inter-centroid separation = 3.6950 (14) Å  ...[more]

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