Gubina Kateryna, Shatrava Iuliia, Ovchynnikov Vladimir, Amirkhanov Vladimir
National Taras Shevchenko University, Department of Chemistry, Volodymyrska Street 64, 01033 Kyiv, Ukraine.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1607. doi: 10.1107/S1600536811021337. Epub 2011 Jun 11.
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.
标题化合物C(4)H(6)N(3)OS(+)·H(2)PO(4) (-)，即(I)，是[(1,3 - 噻唑 - 2 - 基 - 氨基) - 羰基] - 磷酰胺酸(II)在水中水解的产物。X射线分析表明(II)中的N - P键断裂，导致形成取代脲(I)。该化合物以内盐形式存在。晶胞由一个脲阳离子和一个H(2)PO(4) (-)阴离子组成。通过差分傅里叶图中H原子的位置证实了杂环环上N原子的质子化。取代脲分子通过O⋯O氢键连接成无限平面。反过来，这些平面通过与磷酸分子的N - H⋯O氢键相互连接，形成三维聚合物。
