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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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). |
format | Text |
id | pubmed-2983894 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |