Crystal structure analysis of ethyl 7-phenyl-5-p-tolylpyrazolo[1,5-a ]pyrimidine-3-carboxylate

D. Rambabu, P. Mahesh Kumar, Srinivas Basavoju, M. V. Basaveswara Rao, Manojit Pal

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)109-115
Number of pages7
JournalMolecular Crystals and Liquid Crystals
Volume571
Issue number1
DOIs
StatePublished - 1 Jan 2013
Externally publishedYes

Keywords

  • Pyrazolopyrimidines
  • X-ray
  • hydrogen bonding
  • single crystal

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics

Fingerprint

Dive into the research topics of 'Crystal structure analysis of ethyl 7-phenyl-5-p-tolylpyrazolo[1,5-a ]pyrimidine-3-carboxylate'. Together they form a unique fingerprint.

Cite this