• Title of article

    Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­dr­oxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide

  • Author/Authors

    Asgarova, Ayten R. Organic Chemistry Department - Baku State University, Azerbaijan

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    In the title compound, C24H31N3O2, the mean plane of the central pyrazole ring [r.m.s. deviation = 0.095 Å] makes dihedral angles of 11.93 (9) and 84.53 (8)°, respectively, with the phenyl and benzene rings. There is a short intra­molecular N—H⋯N contact, which generates an S(5) ring motif. In the crystal, pairs of N—H⋯O hydrogen bonds link inversion-related mol­ecules into dimers, generating an R22(8) ring motif. The Hirshfeld surface analysis indicates that the most significant contribution involves H⋯H contacts of 68.6%
  • Keywords
    N—H⋯O hydrogen bonds , carboxamide , 3,5-di-tert-butyl-4-hy­droxy­phen­yl , inversion dimer , inversion dimer
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2019
  • Record number

    2625275