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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...

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Detalles Bibliográficos
Autores principales: Flores-Alamo, Marcos, González-Martínez, Sandra, Castillo-Blum, Silvia E.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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