Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one


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Sheshadri S. N. , Atioglu Z., AKKURT M. , Kumar C. S. C. , Quah C. K. , Siddaraju B. P. , ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.935-943, 2018 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 74
  • Publication Date: 2018
  • Doi Number: 10.1107/s205698901800837x
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.935-943

Abstract

In title compound, C17H15ClO3, the dihedral angle between the benzene and chlorophenyl rings is 18.46 (7)degrees. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen contacts, enclosing an R-2(2)(14) ring motif, and by a further C-H center dot center dot center dot O hydrogen contact, forming a two-dimensional supramolecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H center dot center dot center dot H contacts accounting for 36.2% of the surface.