1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone


ÖZEL GÜVEN Ö., Tahtaci H., Coles S. J. , HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.64, 2008 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 64
  • Publication Date: 2008
  • Doi Number: 10.1107/s1600536808023258
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Abstract

In the molecule of the title compound, C10H9N3O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 ( 4) degrees. In the crystal structure, intermolecular C - H center dot center dot center dot O and C - H center dot center dot center dot N hydrogen bonds link the molecules. There are C - H center dot center dot center dot pi contacts between the 1,2,4triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak pi - pi contact between the 1,2,4-triazole and phenyl rings [ centroid-to-centroid distance = 4.547 ( 1) angstrom].