Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)].

In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9- ium aquatrichloridozincate(II), (C₇H₉N₄O₂)[ZnCl₃(H₂O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) A ° . In the complex anion, the Zn^II cation is coordinated by three chloride ions and one oxygen atom from the water ligand in a distorted tetrahedral geometry. In the crystal, inversion dimers between pairs of cations linked by pairwise N--H…O hydrogen bonds generate R2 2(10) rings. The anions are linked into dimers by pairs of O--H…Cl hydrogen bonds and the respective dimers are linked by O--H…O and N--H…Cl hydrogen bonds. Together, these generate a three-dimensional supramolecular network. Hirshfeld surfaces were generated to gain further insight into the packing. [ABSTRACT FROM AUTHOR]