Das Gupta Titir, Guite Jackson, Hirt LiWen, Zhang Xiaodong, Donahue James P
Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.
Acta Crystallogr E Crystallogr Commun. 2025 May 20;81(Pt 6):534-537. doi: 10.1107/S2056989025004293. eCollection 2025 Jun 1.
The title compound, [Ni(CHS)], , crystallizes upon an inversion center in monoclinic 2/ with intra-ligand C-S and C-C 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 plane. Mol-ecules of form columnar stacks along the 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 planes of mol-ecules from adjoining columns. Inter-molecular inter-actions are governed by methyl C-H→π hydrogen bonds, with each mol-ecule enjoying four such inter-actions as acceptor and providing four such inter-actions as donor.
标题化合物[Ni(CHS)], ,在单斜晶系2/的对称中心上结晶,其配体内C-S和C-C键长表明二硫醇-烯配体处于自由基单阴离子氧化还原水平。芳环相对于NiS平面倾斜角度分别为43.54 (4)°和71.36 (3)°。 分子沿晶胞的 轴形成柱状堆积,分子平面与堆积轴之间夹角约为59°。相邻堆积相对于堆积轴的倾斜方向交替,使得相邻列分子的核心NiS平面之间形成37.2°的夹角。分子间相互作用由甲基C-H→π氢键控制,每个分子作为受体有四个这样的相互作用,作为供体也提供四个这样的相互作用。