Date Published: February 01, 2012
Publisher: International Union of Crystallography
Author(s): Noor Afshan Banu, V. Bheema Raju.
In the title compound, C24H20N2O5S·C3H7NO, a benzene ring is positioned axially to the pyrimidine ring, which adopts a twist-boat conformation, and is inclined to its mean plane by 85.36 (7)°. In the crystal, intermolecular C—H⋯O interactions result in centrosymmetric head-to-head dimers with an R22(14) graph-set motif along the b axis. Pairs of C—H⋯O and O—H⋯O hydrogen bonds form centrosymmetric head-to-head dimers about inversion centres, corresponding to an R22(7) graph-set motif along the a axis.
For pharmacological properties of pyrimidine derivatives and general background, see: Alam et al. (2010 ▶). For a related structure, see: Jotani et al. (2010 ▶). For graph-set motifs, see: Bernstein et al. (1995 ▶). For puckering parameters, see: Cremer & Pople (1975 ▶).