Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

xu5754 scheme

Acta Cryst. (2014). E70, o1-o2    [ doi:10.1107/S1600536813032224 ]

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

H.-Y. Ouyang, Y.-Q. Chang and L. Zhao

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. [pi]-[pi] stacking is also observed between parallel tetra­zole rings of adjacent mol­ecules, the centroid-centroid distance being 3.482 (6) Å.

CCDC reference: 973789

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