6-Hy-droxy-5-[(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-yl)(4-nitro-phen-yl)meth-yl]-1,3-di-methyl-pyrimidine-2,4(1H,3H)-dione.

ABSTRACT: In the title compound, C21H23N3O7, the pyrimidine-dione ring adopts a screw-boat conformation, whereas the cyclo-hexenone 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 pyrimidine-dione and cyclo-hexenone rings is 58.78?(2)°. The pyrimidine-dione and cyclo-hexenone rings form dihedral angles of 59.94?(3) and 54.73?(2)°, respectively, with the 4-nitro-phenyl ring. Relatively strong intra-molecular O-H?O hydrogen bonds are observed. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming a chain along the c-axis direction.

SUBMITTER: Sureshbabu N 

PROVIDER: S-EPMC3884343 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature