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...

Descripción completa

Detalles Bibliográficos
Autores principales: Kirchhoff, Jan-Lukas, Koller, Stephan G., Louven, Kathrin, Strohmann, Carsten
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