Cargando…
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 P2(1). One of the Si—C bonds i...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819452/ https://www.ncbi.nlm.nih.gov/pubmed/35145739 http://dx.doi.org/10.1107/S205698902101361X |
_version_ | 1784646065231757312 |
---|---|
author | Kirchhoff, Jan-Lukas Koller, Stephan G. Louven, Kathrin Strohmann, Carsten |
author_facet | Kirchhoff, Jan-Lukas Koller, Stephan G. Louven, Kathrin Strohmann, Carsten |
author_sort | Kirchhoff, Jan-Lukas |
collection | PubMed |
description | 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 P2(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. |
format | Online Article Text |
id | pubmed-8819452 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-88194522022-02-09 Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate Kirchhoff, Jan-Lukas Koller, Stephan G. Louven, Kathrin Strohmann, Carsten Acta Crystallogr E Crystallogr Commun Research Communications 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 P2(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. International Union of Crystallography 2022-01-07 /pmc/articles/PMC8819452/ /pubmed/35145739 http://dx.doi.org/10.1107/S205698902101361X Text en © Kirchhoff et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Kirchhoff, Jan-Lukas Koller, Stephan G. Louven, Kathrin Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title | Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title_full | Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title_short | Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
title_sort | crystal structure and hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819452/ https://www.ncbi.nlm.nih.gov/pubmed/35145739 http://dx.doi.org/10.1107/S205698902101361X |
work_keys_str_mv | AT kirchhoffjanlukas crystalstructureandhirshfeldsurfaceanalysisof1benzyldimethylsilylmethyl1ethylpiperidin1iumethanesulfonate AT kollerstephang crystalstructureandhirshfeldsurfaceanalysisof1benzyldimethylsilylmethyl1ethylpiperidin1iumethanesulfonate AT louvenkathrin crystalstructureandhirshfeldsurfaceanalysisof1benzyldimethylsilylmethyl1ethylpiperidin1iumethanesulfonate AT strohmanncarsten crystalstructureandhirshfeldsurfaceanalysisof1benzyldimethylsilylmethyl1ethylpiperidin1iumethanesulfonate |