4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile


Khan F. N. , Manivel P., Prabakaran K., Hathwar V. R. , AKKURT M.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, vol.66, 2010 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 66
  • Publication Date: 2010
  • Doi Number: 10.1107/s1600536810013012
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Abstract

In the title molecule, C(23)H(14)N(4), the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) angstrom and a maximum deviation of -0.030 (2) angstrom from the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)degrees, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, molecules are linked by weak aromatic pi-pi interactions [centroid-centroid distance = 3.8074 (12) angstrom]. In addition, the crystal structure exhibits a nonclassical intermolecular C-H center dot center dot center dot N hydrogen bond.