• Title of article

    Crystal structure and Hirshfeld surface analysis of 3-(cyclo­propyl­meth­­oxy)-4-(di­fluoro­meth­­oxy)-N-(pyridin-2-ylmeth­yl)benzamide

  • Author/Authors

    Artheswari, G. CAS in Crystallography and Biophysics - University of Madras, Guindy Campus, India , Maheshwaran, V. CAS in Crystallography and Biophysics - University of Madras, Guindy Campus, India , Gautham, N. CAS in Crystallography and Biophysics - University of Madras, Guindy Campus, India

  • Pages
    12
  • From page
    1
  • To page
    12
  • Abstract
    The title compound, C18H18F2N2O3, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. They differ essentially in the orientation of the pyridine ring with respect to the benzene ring; these two rings are inclined to each other by 53.3 (2)° in mol­ecule A and by 72.9 (2)° in mol­ecule B. The 3-(cyclo­propyl­meth­oxy) side chain has an extended conformation in both mol­ecules. The two mol­ecules are linked by a pair of C—H⋯O hydrogen bonds and two C—H⋯π inter­actions, forming an A–B unit. In the crystal, this unit is linked by N—H⋯O hydrogen bonds, forming a zigzag –A–B–A–B– chain along [001]. The chains are linked by C—H⋯N and C—H⋯F hydrogen bonds to form layers parallel to the ac plane. Finally, the layers are linked by a third C—H⋯π inter­action, forming a three-dimensional structure. The major contributions to the Hirshfeld surface are those due to H⋯H contacts (39.7%), followed by F⋯H/H⋯F contacts (19.2%).
  • Keywords
    crystal structure , benzamide , pyridine , cyclo­propane , supra­molecular features , hydrogen bonding , C—H⋯π inter­actions , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2019
  • Record number

    2625283