Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole


Tanak H., İLHAN I. Ö. , Dege N., Akın N., SARIPINAR E.

CRYSTALLOGRAPHY REPORTS, vol.62, no.7, pp.1078-1082, 2017 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 62 Issue: 7
  • Publication Date: 2017
  • Doi Number: 10.1134/s1063774517070276
  • Title of Journal : CRYSTALLOGRAPHY REPORTS
  • Page Numbers: pp.1078-1082

Abstract

Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P2(1)/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N-H center dot center dot center dot N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions. Intermolecular C-H center dot center dot center dot O hydrogen bond links the molecules into a C(7) chain along the a axis. The crystal structure is stabilized also by C-H center dot center dot center dot pi and pi center dot center dot center dot pi intermolecular hydrogen bonds.