Jagan R, Sathya D, Sivakumar K
Department of Physics, Anna University, Chennai 600 025, India.
Acta Crystallogr C Struct Chem. 2015 May;71(Pt 5):374-80. doi: 10.1107/S2053229615006518. Epub 2015 Apr 9.
In the salt 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate), C5H13N2(2+)·2H2PO4(-), (I), and the solvated salt 2-(pyridin-2-yl)pyridinium dihydrogen phosphate-orthophosphoric acid (1/1), C10H9N2(+)·H2PO4(-)·H3PO4, (II), the formation of O-H...O and N-H...O hydrogen bonds between the dihydrogen phosphate (H2PO4(-)) anions and the cations constructs a three- and two-dimensional anionic-cationic network, respectively. In (I), the self-assembly of H2PO4(-) anions forms a two-dimensional pseudo-honeycomb-like supramolecular architecture along the (010) plane. 1-Methylpiperazine-1,4-diium cations are trapped between the (010) anionic layers through three N-H...O hydrogen bonds. In solvated salt (II), the self-assembly of H2PO4(-) anions forms a two-dimensional supramolecular architecture with open channels projecting along the [001] direction. The 2-(pyridin-2-yl)pyridinium cations are trapped between the open channels by N-H...O and C-H...O hydrogen bonds. From a study of previously reported structures, dihydrogen phosphate anions show a supramolecular flexibility depending on the nature of the cations. The dihydrogen phosphate anion may be suitable for the design of the host lattice for host-guest supramolecular systems.
在盐1-甲基哌嗪-1,4-二铵双（磷酸二氢根），C₅H₁₃N₂(2+)·2H₂PO₄(-)，（I）和溶剂化盐2-（吡啶-2-基）吡啶鎓磷酸二氢根 - 正磷酸（1/1），C₁₀H₉N₂(+)·H₂PO₄(-)·H₃PO₄，（II）中，磷酸二氢根（H₂PO₄(-)）阴离子与阳离子之间形成的O-H...O和N-H...O氢键分别构建了三维和二维的阴离子 - 阳离子网络。在（I）中，H₂PO₄(-)阴离子的自组装沿（010）平面形成二维伪蜂窝状超分子结构。1-甲基哌嗪-1,4-二铵阳离子通过三个N-H...O氢键被困在（010）阴离子层之间。在溶剂化盐（II）中，H₂PO₄(-)阴离子的自组装形成二维超分子结构，其开放通道沿[001]方向延伸。2-（吡啶-2-基）吡啶鎓阳离子通过N-H...O和C-H...O氢键被困在开放通道之间。通过对先前报道结构的研究，磷酸二氢根阴离子根据阳离子的性质表现出超分子柔性。磷酸二氢根阴离子可能适用于主客体超分子体系的主体晶格设计。
