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(2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate

With the exception of the terminal hydr­oxy group [N—C—C—O = 53.8 (5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (−.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C—S—S—C = −87.44 (16)°]. In the crystal, the anions self-assemble into a heli...

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Detalles Bibliográficos
Autores principales: Broker, Grant A., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983894/
https://www.ncbi.nlm.nih.gov/pubmed/21580593
http://dx.doi.org/10.1107/S1600536810007658
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author Broker, Grant A.
Tiekink, Edward R. T.
author_facet Broker, Grant A.
Tiekink, Edward R. T.
author_sort Broker, Grant A.
collection PubMed
description With the exception of the terminal hydr­oxy group [N—C—C—O = 53.8 (5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (−.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C—S—S—C = −87.44 (16)°]. In the crystal, the anions self-assemble into a helical supra­molecular chain via charge-assisted O—H⋯O(c) hydrogen bonds. These chains are connected into a three-dimensional network via N—H⋯O(c), N—H⋯O(w), O(h)—H⋯O(cb), and O(w)—H⋯O(c) hydrogen-bonding inter­actions (c = carboxyl­ate, w = water, h = hydr­oxy and cb = carbon­yl).
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spelling pubmed-29838942010-12-30 (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate Broker, Grant A. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers With the exception of the terminal hydr­oxy group [N—C—C—O = 53.8 (5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (−.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C—S—S—C = −87.44 (16)°]. In the crystal, the anions self-assemble into a helical supra­molecular chain via charge-assisted O—H⋯O(c) hydrogen bonds. These chains are connected into a three-dimensional network via N—H⋯O(c), N—H⋯O(w), O(h)—H⋯O(cb), and O(w)—H⋯O(c) hydrogen-bonding inter­actions (c = carboxyl­ate, w = water, h = hydr­oxy and cb = carbon­yl). International Union of Crystallography 2010-03-06 /pmc/articles/PMC2983894/ /pubmed/21580593 http://dx.doi.org/10.1107/S1600536810007658 Text en © Broker and Tiekink 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
Broker, Grant A.
Tiekink, Edward R. T.
(2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title_full (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title_fullStr (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title_full_unstemmed (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title_short (2-Hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
title_sort (2-hydroxy­ethyl)(prop­yl)aza­nium 2-[(2-carboxy­phen­yl)disulfan­yl]benzoate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983894/
https://www.ncbi.nlm.nih.gov/pubmed/21580593
http://dx.doi.org/10.1107/S1600536810007658
work_keys_str_mv AT brokergranta 2hydroxyethylpropylazanium22carboxyphenyldisulfanylbenzoatemonohydrate
AT tiekinkedwardrt 2hydroxyethylpropylazanium22carboxyphenyldisulfanylbenzoatemonohydrate