Ethyl 6-methyl-2-oxo-4-[4-(1H-tetrazol-5-yl)phenyl]-1,2,3,4- tetrahydropyrimidine-5-carboxylate-dimethylformamide-water (2/1/1)

Abstract

The asymmetric unit of the title compound, 2C15H 16N6O3·C3H 7NO·H2O, contains two independent ethyl 6-methyl-2-oxo-4-[4-(1H-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5- carboxylate molecules, in which the dihedral angles between the tetrazole and benzene rings are 20.54(12) and 12.13(12)°. An intramolecular C-H⋯O hydrogen bond occurs in each molecule. In the crystal, N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds, as well as weak C-H⋯O and C-H⋯N hydrogen bonds, link the molecules into a three-dimensional supramolecular architecture. π-π stacking is also observed between parallel tetrazole rings of adjacent molecules, the centroid-centroid distance being 3.482(6)Å.