首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of tris­(13-dimesityl-45-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
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Crystal structure of tris­(13-dimesityl-45-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate

机译:三溴(1-dimesityl-45-di-hydro-1H-咪唑-3-鎓)四溴溴化钴(II)溴化物氯形式六溶剂化物的晶体结构

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摘要

In the unit cell of the title compound, (C21H27N2)3[CoBr4]Br·6CHCl3, the tetrabromidocobaltate(II) anion and the bromide anion are located on a crystallographic threefold rotation axis. For the [CoBr4]2− group, the axis runs through one of the Br ligands and the CoII atom. All other structure moieties lie on general sites. Various tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) structures with different counter-ions have been reported. In the title compound, the N—C—N angle is 113.7 (5)°, with short C—N bond lengths of 1.297 (7) and 1.307 (7) Å. The two mesityl planes make a dihedral angle of 34.6 (1)° and the dihedral angles between the mesityl and N–C–N planes are 82.0 (1) and 88.5 (1)°, respectively. The imidazoline ring is almost planar, with atom deviations in the range 0.003 (5)–0.017 (5) Å from the best plane; the mean deviation is 0.012 (5) Å. In the crystal, non-covalent inter­actions of the C—H⋯Br type occur between the Br anion and the cation, as well as between the [CoBr4]2− anion and both the chloro­form solvent mol­ecules. These H⋯A distances are slightly shorter than the sum of van der Waals radii.
机译:在标题化合物的晶胞中,(C21H27N2)3 [CoBr4] Br·6CHCl3,四溴二硼酸盐(II)阴离子和溴化物阴离子位于晶体学三重旋转轴上。对于[CoBr4] 2-基团,轴穿过Br配体之一和Co II 原子。所有其他结构部分都位于一般站点上。已经报道了具有不同抗衡离子的各种三(1,3-二甲1-4,5-二氢-1H-咪唑-3-鎓)结构。在标题化合物中,NC角为113.7(5)°,具有短的CN键长度为1.297(7)和1.307(7)。两个平面的夹角为34.6(1)°,两个平面之间的夹角为82.0(1)和88.5(1)°。咪唑啉环几乎是平面的,与最佳平面的原子偏差范围为0.003(5)–0.017(5)Å。平均偏差为0.012(5)Å。在晶体中,Br -阴离子和阳离子之间以及[CoBr4] 2-之间发生CHHBr型的非共价相互作用。阴离子和氯仿溶剂分子。这些H⋯A距离比范德华半径的总和略短。

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