Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzene


Shikhaliyev N. Q. , Atioglu Z., AKKURT M. , Ahmadova N. E. , Askerov R. K. , Bhattarai A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.814-823, 2021 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021007192
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.814-823
  • Keywords: crystal structure, C-H center dot center dot center dot pi, C-Cl center dot center dot center dot pi, Cl center dot center dot center dot Cl, Cl center dot center dot center dot H interactions, Hirshfeld surface analysis, X-RAY, PEROXIDATIVE OXIDATION, COPPER(II) COMPLEXES, CATALYTIC-ACTIVITY, HYDROGEN-BONDS, CYANOSILYLATION, HALOGEN, ARYLHYDRAZONE, COORDINATION, IRON(III)

Abstract

In the molecule of the title compound, C22H14Cl4N4, the central benzene ring makes dihedral angles of 77.03 (9) and 81.42 (9)degrees with the two approximately planar 2,2-dichloro-1-[( E)-phenyldiazenyl]vinyl groups. In the crystal, molecules are linked by C-H center dot center dot center dot pi, C-Cl center dot center dot center dot pi, Cl center dot center dot center dot Cl and Cl center dot center dot center dot H interactions, forming a three-dimensional network. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (30.4%), C center dot center dot center dot H/H center dot center dot center dot C (20.4%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (19.4%), Cl center dot center dot center dot Cl (7.8%) and Cl center dot center dot center dot C/center dot center dot center dot Cl (7.3%) interactions.