Abstract
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 R 2 2(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 R 2 2(7) graph-set motif along the a axis.
Highlights
In the title compound, C24H20N2O5SC3H7NO, a benzene ring is positioned axially to the pyrimidine ring, which adopts a twist-boat conformation, and is inclined to its mean plane by
A mean planes calculation shows that the atoms C5 and N1 deviate from the mean plane of the remaining ring atoms (N2/C4/C6/C7) by -0.1442 (2) and -0.0949 (2) Å, respectively, indicating that the conformation of the ring is that of a twisted boat
The compound was recrystallized by slow evaporation of ethyl acetate-ethanol (6:4) solution, yielding pale yellow single crystals suitable for X-ray diffraction
Summary
Refinement a Department of Chemistry, KNS Institute of Technology, Bangalore 560 064, India, and bDepartment of Chemistry, Dr Ambedkar Institute of Technology, Bangalore R factor = 0.058; wR factor = 0.178; data-to-parameter ratio = 17.1. In the title compound, C24H20N2O5SC3H7NO, 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 O—H O hydrogen bonds form centrosymmetric head-tohead dimers about inversion centres, corresponding to an R22(7) graph-set motif along the a axis.
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