Acta Cryst. (2005). E61, o3579-o3581  [ doi:10.1107/S1600536805031521 ]

8-Methyl-5-oxo-5,6-dihydrodipyrido[1,2-a:3',2'-e]pyrimidin-11-ium chloride trihydrate 120 K

R. A. Howie, M. de Lima Ferreira, M. V. N. de Souza, T. R. A. Vasconcelos, S. M. S. V. Wardell and J. L. Wardell

Abstract: In the structure of the title salt, C₁₂H₁₀N₃O⁺·Cl^-·3H₂O, the only species which do not coincide with the mirror plane in the space group P6₃/m are one complete water molecule, one H atom of another water molecule and two H atoms of the methyl group of the cation. Consequently, apart from the two H atoms of the methyl group, the cation is completely planar. The hydrogen bonding between the water molecules and, through Cl^- anions, to the cations, although extensive, can be modelled satisfactorily only by treating one H atom in each of the two types of water molecules as disordered.

Online 8 October 2005

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