（R，R）-和（S，S）-双-（乙腈-κN）[N,N ' -二甲基-N，N ' -双（吡啶-2-基甲基）环己烷-1,2-二胺-κ 4n]铁（II）双-（六氟抗单酸盐）的合成和晶体结构

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-11-01 DOI:10.1107/S2056989024011307

Yurii S. Bibik , Iryna M. Yulakh , Svitlana V. Shishkina , Dmytro M. Khomenko , Roman O. Doroshchuk , Ilona V. Raspertova , Rostyslav D. Lampeka

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引用次数: 0

摘要

介绍了N，N ' -二甲基-N，N ' -二-（吡啶-2-基甲基）环己烷-1,2-二胺对映体非血红素铁催化剂的合成和晶体结构。从对映体纯R，R和S，S BPMCN配体出发，平行合成了两个对映体非血红素铁配合物[Fe(R,R-BPMCN)(CH3CN)2](SbF6)2和[Fe(S,S-BPMCN)(CH3CN)2](SbF6)2 （BPMCM = N,N ' -二甲基-N，N ' -二-（吡啶-2-基甲基）-环己烷-1,2-二胺，C22H28N4）。FeII阳离子具有由N，N，N，N-四齿BPMCN配体和两个乙腈分子螯合形成的扭曲的八面体FeN6几何形状。该配体采用顺式α结构，两个吡啶基团相互配位反式。在晶体中，C-H⋯F氢键系统将阳离子与六氟反单酸盐阴离子连接起来，形成三维结构。

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Syntheses and crystal structures of (R,R)- and (S,S)-bis(acetonitrile-κN)[N,N′-dimethyl-N,N′-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ4N]iron(II) bis(hexafluoroantimonate)

The syntheses and crystal structures of two enantiomeric non-heme iron catalysts based on N,N′-dimethyl-N,N′-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine are described.

Two enantiomeric non-heme iron complexes [Fe(R,R-BPMCN)(CH₃CN)₂](SbF₆)₂ and [Fe(S,S-BPMCN)(CH₃CN)₂](SbF₆)₂ (BPMCM = N,N′-dimethyl-N,N′-bis(pyridin-2-ylmethyl)-cyclohexane-1,2-diamine, C₂₂H₂₈N₄) were obtained in parallel syntheses starting from the enantiomerically pure R,R and S,S BPMCN ligands. The Fe^II cations have a distorted octahedral FeN₆ geometry formed by a chelating N,N,N,N-tetradentate BPMCN ligand and two molecules of acetonitrile. The ligand adopts a cis-α topology with the two pyridine groups coordinated trans to each other. In the crystals, a system of C—H⋯F hydrogen bonds links the cations to the hexafluoroantimonate anions, resulting in a three-dimensional architecture.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.