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organic compounds
The crystals of [C6H9N2S+.Cl−.H2O] are composed of 4,6-dimethyl-2-thioxopyrimidinium cations, Cl− anions and water molecules of crystallization. The Cl− ion and the water O(1W) atom are strongly bonded to the cation by N—HCl and N—HO hydrogen bonds, forming a hydrated molecule. The cation is almost coplanar with the Cl− anion while the water O(1W) atom deviates significantly from the plane of the cation. The molecules form stacks along the z axis with an interplanar distance of 3.62 Å. A three-dimensional network of hydrogen bonds links molecules in consecutive planes with H2O molecules and Cl− ions in the lattice cavities and thus stabilizes the molecular packing. The lattice exhibits an unusual C(sp2)—HCl interaction, bridging consecutive molecular chains.