Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)
The title compound, [Ni(C<sub>18</sub>H<sub>18</sub>S<sub>2</sub>)<sub>2</sub>], <b>1</b>, crystallizes upon an inversion center in monoclinic <i>P</i>2<sub>1</sub>/<i>c</i> with intra-ligand C-S and C-C<sub>chelate</sub> 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 NiS<sub>4</sub> plane. Mol-ecules of <b>1</b> form columnar stacks along the <i>a</i> 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 NiS<sub>4</sub> planes of mol-ecules from adjoining columns. Inter-molecular inter-actions are governed by methyl C-H→π<sub>arene</sub> hydrogen bonds, with each mol-ecule enjoying four such inter-actions as acceptor and providing four such inter-actions as donor.
Authors
- Xiao-Dong Zhang (ORCID: https://orcid.org/0000-0002-3378-592X)
- Titir Das Gupta
- James P. Donahue (ORCID: https://orcid.org/0000-0001-9768-4813)
- Jackson Guite
- LiWen Hirt
Institutions
- Tulane University (US)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-05-20
- DOI
- https://doi.org/10.1107/s2056989025004293
- Citations
- 1
- Primary Topic
- Organic and Molecular Conductors Research
- Type
- article
- Field-Weighted Citation Impact
- 0.43
Funders
- National Science Foundation
- Directorate for Mathematical and Physical Sciences
- Division of Chemistry