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Updated: Jun 12, 2025

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
Bis[1,2-bis-(3,5-di-methyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II)
Titir Das Gupta1, Jackson Guite1, LiWen Hirt1
1Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.
None:
The title compound, [Ni(C18H18S2)2], 1, crystallizes upon an inversion center in monoclinic P21/c with intra-ligand C-S and C-Cchelate bond lengths that are indicative of the radical monoanionic redox level for the di-thiol-ene ligand. The arene rings are canted at angles of 43.54 (4) and 71.36 (3)° with respect to the NiS4 plane. Mol-ecules of 1 form columnar stacks along the a axis of the cell with a ∼59° angle between the mol-ecular plane and the stacking axis. Adjacent stacks alternate in the directionality of their cant relative to the stacking axis such that a 37.2° angle is defined by the core NiS4 planes of mol-ecules from adjoining columns. Inter-molecular inter-actions are governed by methyl C-H→πarene hydrogen bonds, with each mol-ecule enjoying four such inter-actions as acceptor and providing four such inter-actions as donor.
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