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Synthesis and crystal structures of two 1,3-di(alk-yloxy)-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borates.

ABSTRACT: Two salts were prepared by methyl-ation of the respective imidazoline-2-thione at the sulfur atom, using Meerwein's salt (tri-methyl-oxonium tetra-fluorido-borate) in CH2Cl2. 1,3-Dimeth-oxy-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borate (1), C6H11N2O2S+·BF4 -, displays a syn conformation of its two meth-oxy groups relative to each other whereas the two benz-yloxy groups present in 1,3-dibenz-yloxy-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borate (2), C18H19N2O2S+·BF4 -, adopt an anti conformation. In the mol-ecules of 1 and 2, the methyl-sulfanyl group is rotated out of the plane of the respective heterocyclic ring. In both crystal structures, inter-molecular inter-actions are dominated by C-H?F-B contacts, leading to three-dimensional networks. The tetra-fluorido-borate 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.

SUBMITTER: Gelbrich T 

PROVIDER: S-EPMC7133041 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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Synthesis and crystal structures of two 1,3-di(alk-yloxy)-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borates.

Gelbrich Thomas T   Lampl Martin M   Laus Gerhard G   Kahlenberg Volker V   Huppertz Hubert H   Schottenberger Herwig H  

Acta crystallographica. Section E, Crystallographic communications 20200317 Pt 4

Two salts were prepared by methyl-ation of the respective imidazoline-2-thione at the sulfur atom, using Meerwein's salt (tri-methyl-oxonium tetra-fluorido-borate) in CH<sub>2</sub>Cl<sub>2</sub>. 1,3-Dimeth-oxy-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borate (<b>1</b>), C<sub>6</sub>H<sub>11</sub>N<sub>2</sub>O<sub>2</sub>S<sup>+</sup>·BF<sub>4</sub> <sup>-</sup>, displays a <i>syn</i> conformation of its two meth-oxy groups relative to each other whereas the two benz-yloxy groups present  ...[more]

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