2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate
The title compound, C4H6N3OS+·H2PO4 −, (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...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151748/ |
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pubmed-3151748 |
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pubmed-31517482011-08-11 2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate Gubina, Kateryna Shatrava, Iuliia Ovchynnikov, Vladimir Amirkhanov, Vladimir Organic Papers The title compound, C4H6N3OS+·H2PO4 −, (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 H2PO4 −. 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Gubina, Kateryna Shatrava, Iuliia Ovchynnikov, Vladimir Amirkhanov, Vladimir |
| spellingShingle |
Gubina, Kateryna Shatrava, Iuliia Ovchynnikov, Vladimir Amirkhanov, Vladimir 2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate |
| author_facet |
Gubina, Kateryna Shatrava, Iuliia Ovchynnikov, Vladimir Amirkhanov, Vladimir |
| author_sort |
Gubina, Kateryna |
| title |
2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate |
| title_short |
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_sort |
2-ureido-1,3-thiazol-3-ium dihydrogen phosphate |
| description |
The title compound, C4H6N3OS+·H2PO4
−, (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 H2PO4
−. 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2011 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151748/ |
| _version_ |
1611469481288138752 |