Received 24 May 2011
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 OO hydrogen bonds into unlimited planes. In turn, those planes are connected to each other via N-HO hydrogen bonds with molecules of phosphoric acid, forming a three-dimensional polymer.
For background to the chemistry of phosphorus-organic compounds, see: Ly & Woollins (1998). For details of the synthesis and properties of the [(1,3-thiazol-2-ylamino)carbonyl]phosphoramidic acid, see: Kirsanov & Levchenko (1957); Smaliy et al.(2003). For structural analogues of phosphorylated carbacylamides and their properties, see: Amirkhanov et al. (1997). For a structural investigation of phosphortriamidic compounds, see: Ovchynnikov et al. (1997). For the synthesis of the aminothiazol-containing phosphortriamides, see: Shatrava et al. (2009). For a description of the attractive interaction in thiazole compounds, see: Burling & Goldstein (1992); Angyan et al. (1987).
Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-NT (Bruker, 1999); data reduction: SAINT-NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP within SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2693 ).
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