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.
Highlights
Crystal dataR factor = 0.038; wR factor = 0.111; data-to-parameter ratio = 12.9
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 cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
Summary
R factor = 0.038; wR factor = 0.111; data-to-parameter ratio = 12.9. 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. Strong intramolecular O—H O hydrogen bonds are observed. Molecules are linked by C—H O hydrogen bonds, forming a chain along the c-axis direction
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