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

ABSTRACT: The title mol-ecular salt, C₁₇H₃₀NSi⁺·C₂H₅O₄S^-, belongs to the class of a-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 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 inter-molecular inter-actions and their effects on the crystal packing.

SUBMITTER: Kirchhoff JL 

PROVIDER: S-EPMC8819452 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature