In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 76, No. 4 ( 2020-04-01), p. 552-556
Abstract:
Two salts were prepared by methylation of the respective imidazoline-2-thione at the sulfur atom, using Meerwein's salt (trimethyloxonium tetrafluoridoborate) in CH 2 Cl 2 . 1,3-Dimethoxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate ( 1 ), C 6 H 11 N 2 O 2 S + ·BF 4 − , 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 ), C 18 H 19 N 2 O 2 S + ·BF 4 − , 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.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989020003643
DOI:
10.1107/S2056989020003643/wm5549sup1.cif
DOI:
10.1107/S2056989020003643/wm55491sup2.hkl
DOI:
10.1107/S2056989020003643/wm55492sup3.hkl
DOI:
10.1107/S2056989020003643/wm55491sup4.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2020
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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