C - H center dot center dot center dot O and C - H center dot center dot center dot pi interactions in 1-acetyl-4-(p-chlorobenzylideneamino)-3-ethyl-4,5-dihydro-1H-1,2,4-triazol-5-one


CORUH U., KAHVECI B., Sasmaz S. , AGAR E., KIM Y., ERDONMEZ A.

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, vol.59, 2003 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 59
  • Publication Date: 2003
  • Doi Number: 10.1107/s010827010301326x
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Abstract

The title compound, C13H13ClN4O2, contains both a phenyl and a triazole ring, both of which are approximately coplanar with the entire molecule. The triazole ring has substituents at the 1-, 2- and 4-positions. Intramolecular C-H...O and C-H...N interactions, together with intermolecular C-H...O and C-H...pi interactions, help to stabilize the structure.