Acta Cryst. (2006). E62, o3704-o3706  [ doi:10.1107/S1600536806030315 ]

Hydrogen-bonding patterns in pyrimethaminium 3-chlorobenzoate

P. Devi, P. T. Muthiah, U. Rychlewska and A. Plutecka

Abstract: In the crystal structure of the title compound, 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-chlorobenzoate, C₁₂H₁₄ClN₄⁺·C₇H₄ClO₂^-, the cation interacts with the carboxylate group of the anion through a pair of N-HO hydrogen bonds, forming a cyclic hydrogen-bonded motif [graph-set notation R₂²(8)]. This motif self-assembles through a complementary DDAA array of quadruple hydrogen bonds. The pyrimethamine cations are paired about inversion centers through N-HN hydrogen bonds involving a pyrimidine N atom and the 4-amino group of the pyrimethamine cations. Concurrent with hydrogen bonding are ClCl and sandwich stacking interactions.

Online 9 August 2006

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