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[( )-(2-苯基-二茂铁基)甲基]三甲基碘化铵二氯甲烷单溶剂合物的合成与晶体结构

Synthesis and crystal structure of [( )-(2-phenyl-ferrocen-yl)meth-yl]tri-methyl-ammonium iodide di-chloro-methane monosolvate.

作者信息

Lachguar Abdelhak, Deydier Eric, Labande Agnès, Manoury Eric, Poli Rinaldo, Daran Jean-Claude

机构信息

CNRS, LCC (Laboratoire de Chimie de Coordination), Université de Toulouse, UPS, INPT, 205 Route de Narbonne, F-31077 Toulouse Cedex 4, France.

IUT A Paul Sabatier, de Chimie, Avenue Georges Pompidou, CS 20258, F-81104, Castres Cedex, France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jun 14;78(Pt 7):722-726. doi: 10.1107/S2056989022006053. eCollection 2022 Jul 1.

Abstract

As a follow-up to our research on the chemistry of disubstituted ferrocene derivatives, the synthesis and the structure of the title compound, [Fe(CH)(CHN)]I·CHCl, is described. The cation mol-ecule is built up from a ferrocene disubstituted by a tri-methyl-ammonium methyl group and a phenyl ring. The asymmetric unit contains the iodide to equilibrate the charge and a disordered di-chloro-methane solvate. The disordered model results from a roughly statistical exchange (0.6/0.4) between one Cl and one H. The packing of the structure is stabilized by weak C-H⋯ ( = I, Cl), C-H⋯π(Cp) and C-Cl⋯π(phen-yl) inter-actions, building a three-dimensional network. The cation has planar chirality with (Fc) absolute configuration. The structure of the title compound is compared with related disubstituted (tri-meth-ylammonio)-methyl ferrocenes.

摘要

作为我们对二取代二茂铁衍生物化学研究的后续工作,本文描述了标题化合物[Fe(CH)(CHN)]I·CHCl的合成及其结构。阳离子分子由一个被三甲基铵甲基和一个苯环取代的二茂铁构成。不对称单元包含碘化物以平衡电荷以及一个无序的二氯甲烷溶剂化物。无序模型源于一个Cl原子和一个H原子之间大致的统计交换(0.6/0.4)。结构的堆积通过弱的C-H⋯(=I、Cl)、C-H⋯π(Cp)和C-Cl⋯π(苯基)相互作用得以稳定,构建了一个三维网络。阳离子具有平面手性,绝对构型为(Fc)。将标题化合物的结构与相关的二取代(三甲基铵基)甲基二茂铁进行了比较。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e067/9260353/052893710d96/e-78-00722-fig1.jpg

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