Cargando…

[Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate

The title compound, C(2)H(4)N(3) (+)·[H(C(2)H(3)N(3))(2)](+)·2C(7)H(5)O(6)S(−)·2C(2)H(3)N(3), consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-...

Descripción completa

Detalles Bibliográficos
Autor principal: Qiu, Ming-qiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007327/
https://www.ncbi.nlm.nih.gov/pubmed/21588339
http://dx.doi.org/10.1107/S1600536810008603
_version_ 1782194330146963456
author Qiu, Ming-qiang
author_facet Qiu, Ming-qiang
author_sort Qiu, Ming-qiang
collection PubMed
description The title compound, C(2)H(4)N(3) (+)·[H(C(2)H(3)N(3))(2)](+)·2C(7)H(5)O(6)S(−)·2C(2)H(3)N(3), consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-sulfosalicylate anion and a neutral 1,2,4-triazole mol­ecule. The component ions are linked into a three-dimensional network by a combination of N—H⋯O, N—H⋯N, O—H⋯O, O—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds. In addition, benzene–benzene π–π inter­actions of 3.942 (2) Å [inter­planar spacing = 3.390 (2) Å] and C—O⋯π (3.331 Å) inter­actions are observed.
format Text
id pubmed-3007327
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30073272010-12-30 [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate Qiu, Ming-qiang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(2)H(4)N(3) (+)·[H(C(2)H(3)N(3))(2)](+)·2C(7)H(5)O(6)S(−)·2C(2)H(3)N(3), consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-sulfosalicylate anion and a neutral 1,2,4-triazole mol­ecule. The component ions are linked into a three-dimensional network by a combination of N—H⋯O, N—H⋯N, O—H⋯O, O—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds. In addition, benzene–benzene π–π inter­actions of 3.942 (2) Å [inter­planar spacing = 3.390 (2) Å] and C—O⋯π (3.331 Å) inter­actions are observed. International Union of Crystallography 2010-07-17 /pmc/articles/PMC3007327/ /pubmed/21588339 http://dx.doi.org/10.1107/S1600536810008603 Text en © Ming-qiang Qiu 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
Qiu, Ming-qiang
[Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title_full [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title_fullStr [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title_full_unstemmed [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title_short [Hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
title_sort [hydrogen bis­(1,2,4-triazole)] 1,2,4-triazolium bis­(3-carb­oxy-4-hy­droxy­benzene­sulfonate) 1,2,4-triazole disolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007327/
https://www.ncbi.nlm.nih.gov/pubmed/21588339
http://dx.doi.org/10.1107/S1600536810008603
work_keys_str_mv AT qiumingqiang hydrogenbis124triazole124triazoliumbis3carboxy4hydroxybenzenesulfonate124triazoledisolvate