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[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-...
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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/PMC3007327/ https://www.ncbi.nlm.nih.gov/pubmed/21588339 http://dx.doi.org/10.1107/S1600536810008603 |
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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 |