Crystal structure and Hirshfeld surface analysis of 1-[(benzyl-dimethyl-sil-yl)meth-yl]-1-ethyl-piperidin-1-ium ethane-sulfonate

The title mol-ecular salt, C H NSi ·C H O S , belongs to the class of -amino-silanes and was synthesized by the alkyl-ation of 1-[(benzyl-dimethyl-sil-yl)meth-yl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group 2 . One of the Si-C bonds in the cation is unus...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-01, Vol.78 (Pt 2), p.135-139
Hauptverfasser: Kirchhoff, Jan-Lukas, Koller, Stephan G, Louven, Kathrin, Strohmann, Carsten
Format: Artikel
Sprache:eng
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Zusammenfassung:The title mol-ecular salt, C H NSi ·C H O S , belongs to the class of -amino-silanes and was synthesized by the alkyl-ation of 1-[(benzyl-dimethyl-sil-yl)meth-yl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group 2 . 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 inter-molecular inter-actions and their effects on the crystal packing.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902101361X