Crystal Structure Analysis of Ethyl 7-Phenyl-5- p-tolylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Abstract

The title compound, C22H19N3O2, was prepared from the three-component reaction. The structure of the title compound was established by single-crystal X-ray diffraction. The molecular structure shows that the phenyl ring is not coplanar with the pyrimidine ring. The torsion angle between the phenyl ring and pyrimidine ring is 147.01(15)°. The glide related molecules form one-dimensional corrugated tape-like structure via C–H···O hydrogen bonds along the crystallographic b-axis. These one-dimensional layers stack along the a-axis and form a corrugated layered structure and these layers are further stabilized by the weak C–H···π interactions. Also, it was found that the pyrazole moiety and p-toluyl groups of glide-related molecules are stacked through π···π interactions.