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2-Ureido-1,3-thia-zol-3-ium dihydrogen phosphate.

ABSTRACT: 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-thia-zol-2-yl-amino)-carbon-yl]-phospho-ramidic 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 inter-nal 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 mol-ecules 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 mol-ecules of phospho-ric acid, forming a three-dimensional polymer.

SUBMITTER: Gubina K

PROVIDER: S-EPMC3151748 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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2-Ureido-1,3-thia-zol-3-ium dihydrogen phosphate.

Gubina Kateryna K Shatrava Iuliia I Ovchynnikov Vladimir V Amirkhanov Vladimir V

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

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-thia-zol-2-yl-amino)-carbon-yl]-phospho-ramidic 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 inter-nal 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 at ...[more]

PMID: 21837015

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