Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



zj2040 scheme

Acta Cryst. (2012). E68, o47-o48    [ doi:10.1107/S1600536811051683 ]

Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate

J. Fábry, M. Fridrichová, M. Dusek, K. Fejfarová and R. Krupková

Abstract: The title structure, 3C2H7N4O+·HFPO3-·FPO32-·H2O, contains three independent 2-carbamoylguanidinium cations, one fluorophosphonate, one hydrogen fluorophosphonate and one water molecule. There are three different layers in the structure that are nearly perpendicular to the c axis. Each layer contains a cation and the layers differ by the respective presence of the water molecule, the hydrogen fluorophosphonate and fluorophosphonate anions. N-H...O hydrogen bonds between the guanylurea molecules that interconnect the molecules within each layer are strong. The layers are interconnected by strong and weak O-H...O hydrogen bonds between the anions and water molecules, respectively. Interestingly, the configuration of the layers is quite similar to that observed in 2-carbamoylguanidinium hydrogen fluorophosphonate [Fábry et al. (2012). Acta Cryst. C68, o76-o83]. There is also present a N-H...F hydrogen bond in the structure which occurs quite rarely.


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