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

Authors :
Kateryna Gubina
Iuliia Shatrava
Vladimir Ovchynnikov
Vladimir Amirkhanov
Source :
Acta Crystallographica Section E, Vol 67, Iss 7, Pp o1607-o1607 (2011)
Publication Year :
2011
Publisher :
International Union of Crystallography, 2011.

Abstract

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.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
67
Issue :
7
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.44f8e47658554db6b91f039630e53484
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536811021337