Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates
| Autor: | Thomas Gelbrich, Martin Lampl, Gerhard Laus, Volker Kahlenberg, Hubert Huppertz, Herwig Schottenberger |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 4, Pp 552-556 (2020) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989020003643 |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
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