Molecular Crystals and Liquid Crystals, Vol.571, No.1, 109-115, 2013
Crystal Structure Analysis of Ethyl 7-Phenyl-5-p-tolylpyrazolo[1,5-a]pyrimidine-3-carboxylate
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)degrees. The glide related molecules form one-dimensional corrugated tape-like structure via CH center dot center dot center dot 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 CH center dot center dot center dot interactions. Also, it was found that the pyrazole moiety and p-toluyl groups of glide-related molecules are stacked through center dot center dot center dot interactions.