Title of article :
Synthesis and crystal structures of two 1,3-di(alk­yl­oxy)-2-(methyl­sulfan­yl)imidazolium tetra­fluorido­borates
Author/Authors :
Gelbrich, Thomas University of Innsbruck - Institute of Pharmacy, Austria , Lampl, Martin University of Innsbruck - Faculty of Chemistry and Pharmacy, Austria , Kahlenberg, Volker University of Innsbruck - Institute of Mineralogy and Petrography, Austria , Huppertz, Hubert University of Innsbruck - Institute of Pharmacy, Austria , Schottenberger, Herwig University of Innsbruck - Institute of Mineralogy and Petrography, Austria
Pages :
14
From page :
1
To page :
14
Abstract :
Two salts were prepared by methyl­ation of the respective imidazoline-2-thione at the sulfur atom, using Meerwein's salt (tri­methyl­oxonium tetra­fluorido­borate) in CH2Cl2. 1,3-Dimeth­oxy-2-(methyl­sulfan­yl)imidazolium tetra­fluorido­borate (1), C6H11N2O2S+·BF4−, displays a syn conformation of its two meth­oxy groups relative to each other whereas the two benz­yloxy groups present in 1,3-dibenz­yloxy-2-(methyl­sulfan­yl)imidazolium tetra­fluorido­borate (2), C18H19N2O2S+·BF4−, adopt an anti conformation. In the mol­ecules of 1 and 2, the methyl­sulfanyl group is rotated out of the plane of the respective heterocyclic ring. In both crystal structures, inter­molecular inter­actions are dominated by C—H⋯F—B contacts, leading to three-dimensional networks. The tetra­fluorido­borate counter-ion of 2 is disordered over three orientations (occupancy ratio 0.42:0.34:0.24), which are related by rotation about one of the B—F bonds.
Keywords :
conformation , imidazole , methyl­sulfanyl heterocycle , tetra­fluorido­borate , crystal structure.
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2020
Full Text URL :
Record number :
2624328
Link To Document :
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