Takeda Nobuhiro, Oma Rin, Unno Masafumi
Graduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515, Japan.
Acta Crystallogr E Crystallogr Commun. 2019 Feb 12;75(Pt 3):350-353. doi: 10.1107/S2056989019002068. eCollection 2019 Mar 1.
The complex cation of the title compound, NiCl{P(CH-2-S--Pr)}, has a slightly distorted trigonal-bipyramidal coordination geometry in which three S atoms are located in the equatorial plane, and one P and one Cl atom in the apical positions. In the cation, there are two intra-molecular C-H⋯S hydrogen bonds. In the crystal, there are some inter-molecular C-H⋯O and C-H⋯F hydrogen bonds formed between the cation and the anion. The tri-fluoro-methane-sulfonate anion and one of the methyl groups are both disordered over two sets of sites with occupancies of 0.629 (17):0.371 (17) and 0.786 (14):0.214 (14), respectively.
标题化合物NiCl{P(CH₂-S-i-Pr)}的复合阳离子具有略微扭曲的三角双锥配位几何结构,其中三个S原子位于赤道平面,一个P原子和一个Cl原子位于顶点位置。在阳离子中,存在两个分子内C-H⋯S氢键。在晶体中,阳离子与阴离子之间形成了一些分子间C-H⋯O和C-H⋯F氢键。三氟甲磺酸根阴离子和其中一个甲基在两组位置上均无序,占有率分别为0.629 (17):0.371 (17)和0.786 (14):0.214 (14)。