Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate

The title molecular salt, C 17 H 30 NSi + ·C 2 H 5 O 4 S − , belongs to the class of a -aminosilanes and was synthesized by the alkylation of 1-[(benzyldimethylsilyl)methyl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group P 2 1 . One of the Si—C bonds in the...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-02, Vol.78 (2), p.135-139
Main Authors: Kirchhoff, Jan-Lukas, Koller, Stephan G., Louven, Kathrin, Strohmann, Carsten
Format: Article
Language:English
Subjects:
crystal structure
hirshfeld surface analysis
hydrogen bonds
long si—c bonds
α-aminosilanes
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Summary:The title molecular salt, C 17 H 30 NSi + ·C 2 H 5 O 4 S − , belongs to the class of a -aminosilanes and was synthesized by the alkylation of 1-[(benzyldimethylsilyl)methyl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group P 2 1 . One of the Si—C bonds in the cation is unusually long [1.9075 (12) Å], which correlates with the adjacent quaternary N + atom and was verified by quantum chemical calculations. In the crystal, the components are linked by weak C—H...O hydrogen bonds: a Hirshfeld surface analysis was performed to further investigate these intermolecular interactions and their effects on the crystal packing.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902101361X