Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate
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 unusual...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698902101361X |
| _version_ | 1828438244671356928 |
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| author | Jan-Lukas Kirchhoff Stephan G. Koller Kathrin Louven Carsten Strohmann |
| author_facet | Jan-Lukas Kirchhoff Stephan G. Koller Kathrin Louven Carsten Strohmann |
| author_sort | Jan-Lukas Kirchhoff |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-10T20:00:06Z |
| format | Article |
| id | doaj.art-813a0205e69e44758760a1d26d8f0698 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-10T20:00:06Z |
| publishDate | 2022-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-813a0205e69e44758760a1d26d8f06982022-12-22T01:35:32ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902022-02-0178213513910.1107/S205698902101361Xhb8003Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonateJan-Lukas Kirchhoff0Stephan G. Koller1Kathrin Louven2Carsten Strohmann3Technische Universität Dortmund, Fakultät Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, GermanyTechnische Universität Dortmund, Fakultät Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, GermanyTechnische Universität Dortmund, Fakultät Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, GermanyTechnische Universität Dortmund, Fakultät Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, GermanyThe 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.http://scripts.iucr.org/cgi-bin/paper?S205698902101361Xcrystal structureα-aminosilaneslong si—c bondshydrogen bondshirshfeld surface analysis |
| spellingShingle | Jan-Lukas Kirchhoff Stephan G. Koller Kathrin Louven Carsten Strohmann Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate Acta Crystallographica Section E: Crystallographic Communications crystal structure α-aminosilanes long si—c bonds hydrogen bonds hirshfeld surface analysis |
| 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 | crystal structure α-aminosilanes long si—c bonds hydrogen bonds hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698902101361X |
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