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.
Highlights
The asymmetric unit of the title compound, 2C15H16N6O3C3H7NOH2O, contains two independent ethyl 6-methyl-2oxo-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
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, −y, −z+1; (iii) x, y, z−1; (iv) x+1, y−1, z+1
Summary
Hua-Yong Ouyang,a* Yi-Qi Changb and Lu Zhaob a Department of Chemical Engineering, Nanjing College of Chemical Technology, Nanjing 210048, People’s Republic of China, and bDepartment of Applied
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