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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...

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Detalles Bibliográficos
Autores principales: Kirchhoff, Jan-Lukas, Brieger, Lukas, 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/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.
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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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