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Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride
The title compound C(9)H(14)N(+)·Cl(−), (1), can be synthesized starting from (S)-N-methyl-1-phenylethan-1-amine (2). Compound 2 upon addition of HCl·Et(2)O leads to crystallization of compound 1 as colorless blocks. The configuration of compound 1 is stable as well as preserved in space group P2(1...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819438/ https://www.ncbi.nlm.nih.gov/pubmed/35145738 http://dx.doi.org/10.1107/S2056989021013645 |
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author | Kirchhoff, Jan-Lukas Brieger, Lukas Strohmann, Carsten |
author_facet | Kirchhoff, Jan-Lukas Brieger, Lukas Strohmann, Carsten |
author_sort | Kirchhoff, Jan-Lukas |
collection | PubMed |
description | The title compound C(9)H(14)N(+)·Cl(−), (1), can be synthesized starting from (S)-N-methyl-1-phenylethan-1-amine (2). Compound 2 upon addition of HCl·Et(2)O leads to crystallization of compound 1 as colorless blocks. The configuration of compound 1 is stable as well as preserved in space group P2(1)2(1)2(1). Ammonium chlorides, like the title compound, are often observed as undesirable by-products in aminosilylation of chlorosilanes. Additionally, these by-products are usually soluble in selected organic solvents, which require difficult separation steps. Therefore, detailed studies on structural features and intermolecular interactions performed by Hirshfeld atom refinement (HAR) using NoSpherA2 [Kleemiss et al. (2021 ▸). Chem. Sci. 12, 1675–1692] and Hirshfeld surface analysis were used to address structural issues on that separation problem. |
format | Online Article Text |
id | pubmed-8819438 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-88194382022-02-09 Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride Kirchhoff, Jan-Lukas Brieger, Lukas Strohmann, Carsten Acta Crystallogr E Crystallogr Commun Research Communications The title compound C(9)H(14)N(+)·Cl(−), (1), can be synthesized starting from (S)-N-methyl-1-phenylethan-1-amine (2). Compound 2 upon addition of HCl·Et(2)O leads to crystallization of compound 1 as colorless blocks. The configuration of compound 1 is stable as well as preserved in space group P2(1)2(1)2(1). Ammonium chlorides, like the title compound, are often observed as undesirable by-products in aminosilylation of chlorosilanes. Additionally, these by-products are usually soluble in selected organic solvents, which require difficult separation steps. Therefore, detailed studies on structural features and intermolecular interactions performed by Hirshfeld atom refinement (HAR) using NoSpherA2 [Kleemiss et al. (2021 ▸). Chem. Sci. 12, 1675–1692] and Hirshfeld surface analysis were used to address structural issues on that separation problem. International Union of Crystallography 2022-01-07 /pmc/articles/PMC8819438/ /pubmed/35145738 http://dx.doi.org/10.1107/S2056989021013645 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 Brieger, Lukas Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title | Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title_full | Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title_short | Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenylethan-1-aminium chloride |
title_sort | crystal structure and hirshfeld surface analysis of (s)-n-methyl-1-phenylethan-1-aminium chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819438/ https://www.ncbi.nlm.nih.gov/pubmed/35145738 http://dx.doi.org/10.1107/S2056989021013645 |
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