Lense Sheri, Guzei Ilia A, Andersen Jessica, Thao Kong Choua
University of Wisconsin Oshkosh Department of Chemistry, 800 Algoma Blvd., Oshkosh, WI 54902, USA.
Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, WI, 53706, USA.
Acta Crystallogr E Crystallogr Commun. 2018 Apr 27;74(Pt 5):731-736. doi: 10.1107/S2056989018006047. eCollection 2018 May 1.
The structures of two facially coordinated Group VII metal complexes are reported, namely: -bromido-[2-(2,2'-bipyridin-6-yl)benzoic acid-κ,']tricarbonyl-manganese(I) tetra-hydro-furan monosolvate, [MnBr(CHNO)(CO)]·CHO, , and -[2-(2,2'-bipyridin-6-yl)benzoic acid-κ,']tricarbonyl-chlorido-rhenium(I) tetra-hydro-furan monosolvate, [ReCl(CHNO)(CO)]·CHO, . In both complexes, the metal ion is coordinated by three carbonyl ligands, a halide ion, and a 2-(2,2'-bipyridin-6-yl)benzoic acid ligand, in a distorted octa-hedral geometry. In manganese complex , the tetra-hydro-furan (THF) solvent mol-ecule could not be refined due to disorder. The benzoic acid fragment is also disordered over two positions, such that the carb-oxy-lic acid group is either positioned near to the bromide ligand or to the axial carbonyl ligand. In the crystal of , the complex mol-ecules are linked by a pair of C-H⋯Br hydrogen bonds, forming inversion dimers that stack up the -axis direction. In the rhenium complex , there is hydrogen bonding between the benzoic acid moiety and a disordered co-crystallized THF mol-ecule. In the crystal, the mol-ecules are linked by C-H⋯Cl hydrogen bonds, forming layers parallel to (100) separated by layers of THF solvent mol-ecules.
报道了两种面式配位的第 VII 族金属配合物的结构，即：溴代-[2-(2,2'-联吡啶-6-基)苯甲酸-κ，']三羰基锰(I)四氢呋喃单溶剂合物，[MnBr(C₁₃H₉NO₂)(CO)₃]·C₄H₈O， ，以及氯代-[2-(2,2'-联吡啶-6-基)苯甲酸-κ，']三羰基铼(I)四氢呋喃单溶剂合物，[ReCl(C₁₃H₉NO₂)(CO)₃]·C₄H₈O， 。在这两种配合物中，金属离子由三个羰基配体、一个卤离子和一个 2-(2,2'-联吡啶-6-基)苯甲酸配体以扭曲的八面体几何构型配位。在锰配合物 中，由于无序，四氢呋喃(THF)溶剂分子无法精修。苯甲酸片段在两个位置上也无序，使得羧酸基团要么靠近溴配体，要么靠近轴向羰基配体。在 的晶体中，配合物分子通过一对 C-H⋯Br 氢键相连，形成沿 c 轴方向堆积的反演二聚体。在铼配合物 中，苯甲酸部分与一个无序的共结晶 THF 分子之间存在氢键。在晶体中，分子通过 C-H⋯Cl 氢键相连，形成平行于(100)的层，层与层之间被 THF 溶剂分子层隔开。
