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2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate
In the title compound, C(10)H(8)N(3)S(+)·NO(3) (−)·H(2)O, one of the N atoms of the benzimidazole unit is protonated, unlike than that in the thiazole group. This protonation leads to equalization of the bond angles at the two N atoms of the benzimidazole group. The benzimidazole and thiazole syst...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984023/ https://www.ncbi.nlm.nih.gov/pubmed/21580644 http://dx.doi.org/10.1107/S1600536810008433 |
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author | Flores-Alamo, Marcos González-Martínez, Sandra Castillo-Blum, Silvia E. |
author_facet | Flores-Alamo, Marcos González-Martínez, Sandra Castillo-Blum, Silvia E. |
author_sort | Flores-Alamo, Marcos |
collection | PubMed |
description | In the title compound, C(10)H(8)N(3)S(+)·NO(3) (−)·H(2)O, one of the N atoms of the benzimidazole unit is protonated, unlike than that in the thiazole group. This protonation leads to equalization of the bond angles at the two N atoms of the benzimidazole group. The benzimidazole and thiazole systems are almost coplanar, forming a dihedral angle of 0.5 (2)°. In the crystal, the nitrate anion and water molecule bridge the thiabendazolium cations through N—H⋯O and O—H⋯O hydrogen bonds, leading to a supramolecular network based on an infinite one-dimensional chain using [001] as base vector. |
format | Text |
id | pubmed-2984023 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29840232010-12-30 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate Flores-Alamo, Marcos González-Martínez, Sandra Castillo-Blum, Silvia E. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(8)N(3)S(+)·NO(3) (−)·H(2)O, one of the N atoms of the benzimidazole unit is protonated, unlike than that in the thiazole group. This protonation leads to equalization of the bond angles at the two N atoms of the benzimidazole group. The benzimidazole and thiazole systems are almost coplanar, forming a dihedral angle of 0.5 (2)°. In the crystal, the nitrate anion and water molecule bridge the thiabendazolium cations through N—H⋯O and O—H⋯O hydrogen bonds, leading to a supramolecular network based on an infinite one-dimensional chain using [001] as base vector. International Union of Crystallography 2010-03-13 /pmc/articles/PMC2984023/ /pubmed/21580644 http://dx.doi.org/10.1107/S1600536810008433 Text en © Flores-Alamo 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 Flores-Alamo, Marcos González-Martínez, Sandra Castillo-Blum, Silvia E. 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title | 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title_full | 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title_fullStr | 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title_full_unstemmed | 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title_short | 2-(1,3-Thiazol-4-yl)benzimidazolium nitrate monohydrate |
title_sort | 2-(1,3-thiazol-4-yl)benzimidazolium nitrate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984023/ https://www.ncbi.nlm.nih.gov/pubmed/21580644 http://dx.doi.org/10.1107/S1600536810008433 |
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