Marouani Houda, Al-Deyab Salem S, Rzaigui Mohamed
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o970-1. doi: 10.1107/S1600536811010658. Epub 2011 Mar 26.
In the title compound, C(4)H(6)N(3) (+)·H(2)O(4)P(-)·H(2)O, the pyrimidin-ium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O-H⋯O hydrogen bonds forming six-membered rings with an R(2) (2)(6) motif. These clusters are inter-connected via water mol-ecules through OW-H⋯O hydrogen bonds, building an infinite layer parallel to the ab plane. Moreover, infinite chains of 2-amino-pyrimidinium cations spread along the a-axis direction. These chains are connected to the inorganic layer through N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds, which, together with electrostatic and van der Waals inter-actions, contribute to the cohesion and stability of the network in the crystal structure.
在标题化合物C(4)H(6)N(3) (+)·H(2)O(4)P(-)·H(2)O中，嘧啶鎓环基本呈平面状，均方根偏差为0.0016 Å。在该结构中，通过强O-H⋯O氢键，对称相关的阴离子对连接成中心对称的簇，形成具有R(2) (2)(6) motif的六元环。这些簇通过水分子经由OW-H⋯O氢键相互连接，形成平行于ab平面的无限层。此外，2-氨基嘧啶鎓阳离子的无限链沿a轴方向伸展。这些链通过N-H⋯O、C-H⋯O和C-H⋯N氢键与无机层相连，这些氢键与静电和范德华相互作用一起，有助于晶体结构中网络的凝聚和稳定。
