(R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate

The title compound, C(13)H(11)NO(4)·H(2)O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquino­line group and a deprotonated carboxyl group. In the crystal, mol­ecules are connected via short O—H⋯O hydrogen bonds between protonated and deprotonated carboxyl groups in...

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Detalles Bibliográficos
Autores principales: Stilinović, Vladimir, Frkanec, Leo, Kaitner, Branko
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979612/
https://www.ncbi.nlm.nih.gov/pubmed/21579503
http://dx.doi.org/10.1107/S1600536810018428
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author Stilinović, Vladimir
Frkanec, Leo
Kaitner, Branko
author_facet Stilinović, Vladimir
Frkanec, Leo
Kaitner, Branko
author_sort Stilinović, Vladimir
collection PubMed
description The title compound, C(13)H(11)NO(4)·H(2)O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquino­line group and a deprotonated carboxyl group. In the crystal, mol­ecules are connected via short O—H⋯O hydrogen bonds between protonated and deprotonated carboxyl groups into chains of either R or S enanti­omers along [001]. These chains are additionally connected by hydrogen bonding between water mol­ecules and the deprotonated carb­oxy groups of neighbouring mol­ecules.
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spelling pubmed-29796122010-12-30 (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate Stilinović, Vladimir Frkanec, Leo Kaitner, Branko Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(11)NO(4)·H(2)O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquino­line group and a deprotonated carboxyl group. In the crystal, mol­ecules are connected via short O—H⋯O hydrogen bonds between protonated and deprotonated carboxyl groups into chains of either R or S enanti­omers along [001]. These chains are additionally connected by hydrogen bonding between water mol­ecules and the deprotonated carb­oxy groups of neighbouring mol­ecules. International Union of Crystallography 2010-05-22 /pmc/articles/PMC2979612/ /pubmed/21579503 http://dx.doi.org/10.1107/S1600536810018428 Text en © Stilinović et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Stilinović, Vladimir
Frkanec, Leo
Kaitner, Branko
(R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title_full (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title_fullStr (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title_full_unstemmed (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title_short (R,S)-3-Carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
title_sort (r,s)-3-carb­oxy-2-(isoquinolinium-2-yl)propanoate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979612/
https://www.ncbi.nlm.nih.gov/pubmed/21579503
http://dx.doi.org/10.1107/S1600536810018428
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AT frkanecleo rs3carboxy2isoquinolinium2ylpropanoatemonohydrate
AT kaitnerbranko rs3carboxy2isoquinolinium2ylpropanoatemonohydrate

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