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2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate

The title compound, C(4)H(6)N(3)OS(+)·H(2)PO(4) (−), (I), was obtained as a result of hydrolysis of [(1,3-thia­zol-2-yl­amino)­carbon­yl]­phospho­ramidic acid, (II), in water. X-ray analysis has shown that the N—P bond in (II) breaks, leading to the formation of the substituted carbamide (I). This c...

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Autores principales: Gubina, Kateryna, Shatrava, Iuliia, Ovchynnikov, Vladimir, Amirkhanov, Vladimir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151748/
https://www.ncbi.nlm.nih.gov/pubmed/21837015
http://dx.doi.org/10.1107/S1600536811021337
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author Gubina, Kateryna
Shatrava, Iuliia
Ovchynnikov, Vladimir
Amirkhanov, Vladimir
author_facet Gubina, Kateryna
Shatrava, Iuliia
Ovchynnikov, Vladimir
Amirkhanov, Vladimir
author_sort Gubina, Kateryna
collection PubMed
description The title compound, C(4)H(6)N(3)OS(+)·H(2)PO(4) (−), (I), was obtained as a result of hydrolysis of [(1,3-thia­zol-2-yl­amino)­carbon­yl]­phospho­ramidic acid, (II), in water. X-ray analysis has shown that the N—P bond in (II) breaks, leading to the formation of the substituted carbamide (I). This compound exists as an inter­nal salt. The unit cell consists of a urea cation and an anion of H(2)PO(4) (−). Protonation of the N atom of the heterocyclic ring was confirmed by the location of the H atom in a difference Fourier map. The mol­ecules of substituted urea are connected by O⋯O hydrogen bonds into unlimited planes. In turn, those planes are connected to each other via N—H⋯O hydrogen bonds with mol­ecules of phospho­ric acid, forming a three-dimensional polymer.
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spelling pubmed-31517482011-08-11 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate Gubina, Kateryna Shatrava, Iuliia Ovchynnikov, Vladimir Amirkhanov, Vladimir Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(4)H(6)N(3)OS(+)·H(2)PO(4) (−), (I), was obtained as a result of hydrolysis of [(1,3-thia­zol-2-yl­amino)­carbon­yl]­phospho­ramidic acid, (II), in water. X-ray analysis has shown that the N—P bond in (II) breaks, leading to the formation of the substituted carbamide (I). This compound exists as an inter­nal salt. The unit cell consists of a urea cation and an anion of H(2)PO(4) (−). Protonation of the N atom of the heterocyclic ring was confirmed by the location of the H atom in a difference Fourier map. The mol­ecules of substituted urea are connected by O⋯O hydrogen bonds into unlimited planes. In turn, those planes are connected to each other via N—H⋯O hydrogen bonds with mol­ecules of phospho­ric acid, forming a three-dimensional polymer. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151748/ /pubmed/21837015 http://dx.doi.org/10.1107/S1600536811021337 Text en © Gubina et al. 2011 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
Gubina, Kateryna
Shatrava, Iuliia
Ovchynnikov, Vladimir
Amirkhanov, Vladimir
2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title_full 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title_fullStr 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title_full_unstemmed 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title_short 2-Ureido-1,3-thia­zol-3-ium dihydrogen phosphate
title_sort 2-ureido-1,3-thia­zol-3-ium dihydrogen phosphate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151748/
https://www.ncbi.nlm.nih.gov/pubmed/21837015
http://dx.doi.org/10.1107/S1600536811021337
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