2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate

In the title salt, C6H10N3O2 +·C2HCl2O2 −, two cations and two anions are linked by N—H⋯O hydrogen bonds, forming chains along the c axis.


Related literature
For the biological activity of heterocyclic compounds, see: Gilchrist (1998). For the bioactivity of pyrimidine derivatives, see: Xue et al. (1993). For a related structure, see: Hemamalini et al. (2005). For standard bond lengths, see: Allen et al. (1987).
The molecular structure of (I) is shown in Fig. 1. There is one cation and one anion in the asymmetric unit of (I). All bond lengths are within the normal ranges (Allen et al., 1987). In the crystal, two cations and two anions are linked by intermolecular N-H···O hydrogen bonds to form centrosymmetric four component aggregates.

Refinement
H atoms bonded to C atoms were fixed geometrically and and included in a riding-model approximation with C-H = 0.93-0.98 Å and N-H = 0.86Å with U iso (H)=1.2-1.5U eq (C).

Computing details
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXTL (Sheldrick, 2008   Part of the crystal structure with hydrogen bonds shown as dashed lines. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq