Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 5 (May 2007)

organic compounds

 

Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2R,3R)-tartrate 2-amino-4,6-dimethoxypyrimidine

K. Thanigaimani, P. T. Muthiah and D. E. Lynch

Abstract: In the crystal structures of the title compounds, C₆H₁₀N₃O₂⁺·C₇H₅O₃^-·H₂O, (I), C₆H₁₀N₃O₂⁺·C₇H₄NO₄^-·H₂O, (II), and C₆H₁₀N₃O₂⁺·C₄H₅O₆^-·C₆H₉N₃O₂, (III), the 2-amino-4,6-dimethoxypyrimidinium cation [abbreviated as (MeO)₂-Hampy⁺] interacts with the carboxylate group of the corresponding anion through a pair of nearly parallel N-HO hydrogen bonds to form R₂²(8) ring motifs. In (I), the (MeO)₂-Hampy⁺ cation is centrosymmetrically paired through a pair of N-HN hydrogen bonds involving the 2-amino group and a ring N atom forming an R₂²(8) motif. In (II), inversion-related R₂²(8) motifs (amino-pyrimidine-carboxylate motifs) are further bridged by N-HO hydrogen bonds on either side forming a DDAA array of quadruple hydrogen bonds. This array is extended further on either side by O_water-HO_methoxy hydrogen bonds, resulting in an array of six hydrogen bonds (ADDAAD). The water molecule plays a pivotal role, and five hydrogen-bonded fused rings are formed around the water molecule. In (III), the carboxy group of the tartrate anion interacts with the ring N atom and 2-amino group of the neutral (MeO)₂-ampy molecule through N-HO and O-HN hydrogen bonds. There is also an intramolecular O-HO hydrogen bond in the tartrate anion. In all three crystal structures, C-HO hydrogen bonds are observed.

Formula: C₆H₁₀N₃O₂⁺·C₇H₅O₃^-·H₂O, C₆H₁₀N₃O₂⁺·C₇H₄NO₄^-·H₂O and C₆H₁₀N₃O₂⁺·C₄H₅O₆^-·C₆H₉N₃O₂

	Structure factor file (CIF format) (152.5 kbytes) [ doi:10.1107/S0108270107005677/ob3031Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (162.6 kbytes) [ doi:10.1107/S0108270107005677/ob3031IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (114.4 kbytes) [ doi:10.1107/S0108270107005677/ob3031IIIsup4.hkl ] Contains datablock III

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