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Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate
The title hydrated molecular salt, C(4)H(12)N(+)·C(4)H(5)O(6) (−)·H(2)O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418791/ https://www.ncbi.nlm.nih.gov/pubmed/28529783 http://dx.doi.org/10.1107/S2056989017005448 |
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author | Publicover, Ernlie A. Kolwich, Jennifer Stack, Darcie L. Doué, Alyssa J. Ylijoki, Kai E. O. |
author_facet | Publicover, Ernlie A. Kolwich, Jennifer Stack, Darcie L. Doué, Alyssa J. Ylijoki, Kai E. O. |
author_sort | Publicover, Ernlie A. |
collection | PubMed |
description | The title hydrated molecular salt, C(4)H(12)N(+)·C(4)H(5)O(6) (−)·H(2)O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric acid. The sec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH(2) bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H⋯O and N—H⋯O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure. |
format | Online Article Text |
id | pubmed-5418791 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54187912017-05-19 Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate Publicover, Ernlie A. Kolwich, Jennifer Stack, Darcie L. Doué, Alyssa J. Ylijoki, Kai E. O. Acta Crystallogr E Crystallogr Commun Research Communications The title hydrated molecular salt, C(4)H(12)N(+)·C(4)H(5)O(6) (−)·H(2)O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric acid. The sec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH(2) bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H⋯O and N—H⋯O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure. International Union of Crystallography 2017-04-18 /pmc/articles/PMC5418791/ /pubmed/28529783 http://dx.doi.org/10.1107/S2056989017005448 Text en © Publicover et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Publicover, Ernlie A. Kolwich, Jennifer Stack, Darcie L. Doué, Alyssa J. Ylijoki, Kai E. O. Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title | Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title_full | Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title_fullStr | Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title_full_unstemmed | Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title_short | Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate |
title_sort | crystal structure of (s)-sec-butylammonium l-tartrate monohydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418791/ https://www.ncbi.nlm.nih.gov/pubmed/28529783 http://dx.doi.org/10.1107/S2056989017005448 |
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