Swift Hannah, Carrig Molly W, Oshin Kayode D, Vinokur Anastasiya I, Desper John A, Levy Christopher J
Department of Chemistry, Creighton University, Omaha, NE 68102, USA.
Department of Chemistry, University of Wisconsin, Madison, WI 53558, USA.
Acta Crystallogr E Crystallogr Commun. 2017 Jun 2;73(Pt 7):936-940. doi: 10.1107/S2056989017007952. eCollection 2017 Jul 1.
The first Fe atom in the solvated title compound, [FeClO(CHN)]·CHCl, adopts a distorted six-coordinate octa-hedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1,2)-,'-bis-[(quinolin-2-yl)methyl]cyclo-hexane-1,2-di-amine ligand, and a bridging oxido ligand attached to the second Fe atom, which is also bonded to three chloride ions. A very weak intra-molecular N-H⋯Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloro-form solvent mol-ecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloro-form mol-ecule exhibits 'flip' disorder of the C-H moiety in a 0.544 (3):0.456 (3) ratio. The only directional inter-action noted is a weak C-H⋯Cl hydrogen bond.
溶剂化的标题化合物[FeClO(CHN)]·CHCl中的第一个铁原子采用扭曲的六配位八面体几何构型。它由一个氯配体、来自(1,2)-,'-双[(喹啉-2-基)甲基]环己烷-1,2-二胺配体的四个氮原子以及一个与第二个铁原子相连的桥连氧化配体配位，第二个铁原子也与三个氯离子键合。存在一个非常弱的分子内N-H⋯Cl氢键。在晶体中，配位络合物堆积成列，六个这样的列形成通道，通道中填充有无序的氯仿溶剂分子。尽管两个金属原子的Fe-Cl键长与从剑桥结构数据库得出的平均Fe-Cl键长相当，但Fe-O键长明显更短。溶剂氯仿分子中C-H部分呈现0.544 (3):0.456 (3)比例的“翻转”无序。唯一观察到的定向相互作用是一个弱的C-H⋯Cl氢键。
