Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 2 (February 2009)

organic compounds

Acta Cryst. (2009). C65, o42-o45 [ doi:10.1107/S0108270108044223 ]

Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium picrate and pyrimethaminium picrate dimethyl sulfoxide solvate

K. Thanigaimani, A. Subashini, P. T. Muthiah, D. E. Lynch and R. J. Butcher

Abstract: In the crystal structures of 2-amino-4,6-dimethoxypyrimidinium 2,4,6-trinitrophenolate (picrate), C₆H₁₀N₃O₂⁺·C₆H₂N₃O₇^-, (I), and 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium (pyrimethaminium or PMN) picrate dimethyl sulfoxide solvate, C₁₂H₁₄ClN₄⁺·C₆H₂N₃O₇^-·C₂H₆OS, (II), the 2-amino-4,6-dimethoxypyrimidine and PMN cations are protonated at one of the pyrimidine N atoms. The picrate anion interacts with the protonated cations through bifurcated N-HO hydrogen bonds, forming R₂¹(6) and R₁²(6) ring motifs. In (I), Z' = 2. In (II), two inversion-related PMN cations are connected through a pair of N-HN hydrogen bonds involving the 4-amino group and the uncharged N atom of the pyrimidine ring, forming a cyclic hydrogen-bonded R₂²(8) motif. In addition to the pairing, the O atom of the dimethyl sulfoxide solvent molecule bridges the 2-amino and 4-amino groups on both sides of the paired bases, resulting in a self-complementary ...DADA... array of quadruple hydrogen-bonding patterns.

Formula: C₆H₁₀N₃O₂⁺·C₆H₂N₃O₇^- and C₁₂H₁₄ClN₄⁺·C₆H₂N₃O₇^-·C₂H₆OS


	Structure factor file (CIF format) (337.9 kbytes) [ doi:10.1107/S0108270108044223/gz3155Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (370.2 kbytes) [ doi:10.1107/S0108270108044223/gz3155IIsup3.hkl ] Contains datablock II

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