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双-[1,3-双-(2,6-二异丙基苯基)咪唑-2-亚基]氯化银(I)四氢呋喃单溶剂合物的晶体结构

Crystal structure of bis-[1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene]silver(I) chloride tetrahydro-furan monosolvate.

作者信息

Sänger Inge, Lerner Hans-Wolfram, Bolte Michael

机构信息

Institut für Anorganische Chemie, Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Apr 22;71(Pt 5):544-6. doi: 10.1107/S2056989015007525. eCollection 2015 May 1.

DOI:10.1107/S2056989015007525
PMID:25995876
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4420118/
Abstract

In the title salt, [Ag(C27H36N2)2]Cl·C4H8O, the Ag(I) atom is coordinated by two 1,3-bis-(2,6-di-methyl-phen-yl)imidazol-2-yl-idene ligands. The imidazole rings are inclined to one another by 46.69 (13)° and the benzene rings in each ligand are almost normal to the imdazole ring to which they are attached, with dihedral angles varying from 82.39 (13) to 88.27 (12)°. There are C-H⋯π inter-actions present in the cation, involving the two ligands, and the solvent mol-ecule is linked to the cation via a C-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by trifurcated C-H⋯(Cl,Cl,Cl) hydrogen bonds, forming slabs parallel to (101). One isopropyl group is disordered over two sets of sites with an occupancy ratio of 0.447 (17):0.553 (17) and the THF mol-ecule is disordered over two positions with an occupancy ratio of 0.589 (6):0.411 (6).

摘要

在标题盐[Ag(C₂₇H₃₆N₂)₂]Cl·C₄H₈O中，Ag(I)原子由两个1,3-双(2,6-二甲基苯基)咪唑-2-亚基配体配位。咪唑环彼此倾斜46.69 (13)°，每个配体中的苯环与它们所连接的咪唑环几乎垂直，二面角在82.39 (13)°至88.27 (12)°之间变化。阳离子中存在C-H⋯π相互作用，涉及两个配体，溶剂分子通过C-H⋯O氢键与阳离子相连。在晶体中，分子通过三叉C-H⋯(Cl,Cl,Cl)氢键相连，形成平行于(101)的层板。一个异丙基在两组位置上无序，占有率为0.447 (17):0.553 (17)，四氢呋喃分子在两个位置上无序，占有率为0.589 (6):0.411 (6)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5889/4420118/aec7be31d241/e-71-00544-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5889/4420118/f87c67e9ad87/e-71-00544-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5889/4420118/aec7be31d241/e-71-00544-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5889/4420118/f87c67e9ad87/e-71-00544-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5889/4420118/aec7be31d241/e-71-00544-fig2.jpg

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