Abstract
In the title molecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acetoxyphenyl group is substituted axially to this ring. The thiazole ring is essentially planar [with a maximum deviation of 0.012 (2) Å for the N atom] and forms dihedral angles of 17.65 (13) and 88.95 (11)° with the bromo- and acetoxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 81.84 (13) Å. In the crystal, pairs of weak C—H⋯O hydrogen bonds lead to the formation of inversion dimers. A weak C—H⋯π interaction and π–π stacking interactions with centroid–centroid distances of 3.5903 (14) Å are observed.
Highlights
In the title molecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acetoxyphenyl group is substituted axially to this ring
Cg is the centroid of the C5–C7/C9/N1/N2 ring
H···π(ring) interaction is observed
Summary
R factor = 0.039; wR factor = 0.096; data-to-parameter ratio = 15.9. Cg is the centroid of the C5–C7/C9/N1/N2 ring. C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acetoxyphenyl group is substituted axially to this ring. The thiazole ring is essentially planar [with a maximum deviation of 0.012 (2) Å for the N atom] and forms dihedral angles of 17.65 (13) and. 88.95 (11) with the bromo- and acetoxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 81.84 (13) Å. Pairs of weak C—H O hydrogen bonds lead to the formation of inversion dimers. A weak C—H interaction and – stacking interactions with centroid–centroid distances of 3.5903 (14) Å are observed. For hydrogen-bond graph-set motifs, see: Bernstein et al (1995)
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