Hua-Yong Ou-Yang, Yian Chang, Lu Zhao
Dec 4, 2013
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Journal
Acta Crystallographica Section E: Structure Reports Online
Abstract
The asymmetric unit of the title compound, 2C15H16N6O3·C3H7NO·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.