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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...

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Autores principales: Publicover, Ernlie A., Kolwich, Jennifer, Stack, Darcie L., Doué, Alyssa J., Ylijoki, Kai E. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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