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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 Cu^II complex, [Cu(C₁₃H₁₁N₂OS₂)₂], features a trans-N₂S₂ donor set as a result of the Cu^II 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 |

REPOSITORIES: biostudies-literature

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