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

Autor: Kirchhoff, Jan-Lukas, Koller, Stephan G., Louven, Kathrin, Strohmann, Carsten
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Jan2022, Vol. 78 Issue 2, p135-139, 11p
Abstrakt: The title molecular salt, C17H30NSi+·C2H5O4S-, 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 P21. 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index