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.

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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

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article

Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)

Xiao-Dong Zhang, Titir Das Gupta, James P. Donahue, Jackson Guite et al.
1 citations
Acta Crystallographica Section E Crystallographic Communications
Organic and Molecular Conductors Research
0.43
article

Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)

Xiao-Dong Zhang, Titir Das Gupta, James P. Donahue, Jackson Guite, LiWen Hirt
article en
1 citations

Abstract

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.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 81(6)
Tulane University (US)
National Science Foundation, Directorate for Mathematical and Physical Sciences, Division of Chemistry
Clean water and sanitation
Openalex Percentile: Top 42%
Organic and Molecular Conductors Research
0.43
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