溴代三碳基[5-苯基-3-(吡啶-2-基)- 1h -1,2,4-三唑-κ(2) N,N']铼(I)的晶体结构

IF 0.9
Kseniia Piletska, Konstantin V Domasevitch, Alexander V Shtemenko
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引用次数: 1

摘要

在标题化合物[ReBr(C13H10N4)(CO)3]中,Re(I)原子具有畸变的八面体配位环境。5-苯基-3-(吡啶-2-基)- 1h -1,2,4-三唑配体的两个N原子和三个羰基中的两个占据配合物的赤道面,第三个羰基配体和溴配体在轴向位置。三个羰基配体在Re(I)原子周围呈面状排列。相互的N-H⋯Br氢键将分子排列成中心对称的二聚体。C-H⋯O和C-H⋯Br氢键以及滑动π-π堆叠相互作用[质心到质心距离= 3.785 (5)Å]提供了晶体结构内的额外稳定性,定义了三维网络。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystal structure of bromido-fac-tricarbon-yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N']rhenium(I).

Crystal structure of bromido-fac-tricarbon-yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N']rhenium(I).

Crystal structure of bromido-fac-tricarbon-yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N']rhenium(I).

Crystal structure of bromido-fac-tricarbon-yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N']rhenium(I).

In the title compound, [ReBr(C13H10N4)(CO)3], the Re(I) atom has a distorted octa-hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re(I) atom. Mutual N-H⋯Br hydrogen bonds arrange mol-ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C-H⋯O and C-H⋯Br hydrogen bonds, as well as by slipped π-π stacking inter-actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

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来源期刊
自引率
33.30%
发文量
0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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