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1,3-双(2-噻吩基甲基)-4,5-二氢咪唑三氯(η-对异丙基苯)钌(II)酸盐

1,3-Bis(2-thienylmeth-yl)-4,5-dihydro-imidazolium trichlorido(η-p-cymene)ruthenate(II).

作者信息

Arslan Hakan, Vanderveer Don, Ozdemir Ismail, Gürbüz Nevin, Gök Yetkin, Cetinkaya Bekir

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):m165-6. doi: 10.1107/S1600536809000464.

DOI:10.1107/S1600536809000464
PMID:21581774
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968218/
Abstract

The asymmetric unit of the title compound, (C(13)H(15)N(2)S(2))[RuCl(3)(C(10)H(14))], contains a 1,3-(2-thienylmeth-yl)-4,5-dihydro-imidazolium cation and a trichlorido(η(6)-p-cymene)ruthenate(II) anion. The thio-phene rings of the cation are disordered by an 180° rotation about the thio-phene-CH(2) bonds with occupancies of 0.847 (5)/0.153 (5) and 0.700 (5)/0.300 (5), respectively. The Ru atom exhibits a distorted octa-hedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three Cl atoms occupying the other three sites. The short C-N bond lengths in the imidazoline ring indicate partial electron delocalization within the N-C-N fragment. Cation and anions are connected through five inter-molecular C-H⋯Cl hydrogen bonds and one C-H⋯π hydrogen bond, forming a three-dimensional hydrogen-bonded network.

摘要

标题化合物(C₁₃H₁₅N₂S₂)[RuCl₃(C₁₀H₁₄)]的不对称单元包含一个1,3 -(2 - 噻吩甲基)- 4,5 - 二氢咪唑鎓阳离子和一个三氯(η⁶ - 对异丙基苯)钌(II)阴离子。阳离子的噻吩环通过围绕噻吩 - CH₂键的180°旋转而无序,占有率分别为0.847(5)/0.153(5)和0.700(5)/0.300(5)。Ru原子呈现出扭曲的八面体配位,对异丙基苯配体的苯环形式上占据三个位置,三个Cl原子占据另外三个位置。咪唑啉环中较短的C - N键长表明N - C - N片段内存在部分电子离域。阳离子和阴离子通过五个分子间C - H⋯Cl氢键和一个C - H⋯π氢键相连,形成三维氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/1d3f9df70afe/e-65-0m165-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/a1c09d9d9ad8/e-65-0m165-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/53d49e55ea99/e-65-0m165-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/1d3f9df70afe/e-65-0m165-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/a1c09d9d9ad8/e-65-0m165-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/53d49e55ea99/e-65-0m165-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5456/2968218/1d3f9df70afe/e-65-0m165-fig3.jpg

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