Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)

organic compounds

Acta Cryst. (2013). E69, o1690-o1691    [ doi:10.1107/S1600536813028584 ]


N. Sureshbabu and V. Sughanya

Abstract: In the title compound, C21H23N3O7, the pyrimidine­dione ring adopts a screw-boat conformation, whereas the cyclo­hexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidine­dione and cyclo­hexenone rings is 58.78 (2)°. The pyrimidine­dione and cyclo­hexenone rings form dihedral angles of 59.94 (3) and 54.73 (2)°, respectively, with the 4-nitro­phenyl ring. Relatively strong intra­molecular O-H...O hydrogen bonds are observed. In the crystal, mol­ecules are linked by C-H...O hydrogen bonds, forming a chain along the c-axis direction.

CCDC reference: 937357

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