V. Rajakannan, L. Govindasamy, D. Velmurugan, K.Sekar, A. Senthilvelan, S. Shanmuga Sundara Raj, H.-K. Fun: The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole

Crystal Research and Technology

Cryst. Res. Technol. 37 (2002) 301 - Abstract -

V. Rajakannan, L. Govindasamy, D. Velmurugan, K.Sekar*, A. Senthilvelan**, S. Shanmuga Sundara Raj***, H.-K. Fun***

Department of Crystallography and Biophysics, University of Madras, Chennai, India
*Bioinformatics Centre, Indian Institute of Science, Bangalore, India
**Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai, India
***X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang, Malaysia

The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole

The crystal structure of the title compound [CCDC No. 157498], C₁₅H₁₂N₃Cl, contains a 1,2,4-triazole moiety substituted with a phenyl ring and methyl chlorophenyl group as exogenous substituents. The triazole ring is planar within 0.004(3)Å . The dihedral angles between the phenyl rings and the 1,2,4-triazole ring are 88.1(1)º and 44.3(1)º. The interplanar angle between the two phenyl rings is 57.2(1)º. The packing of the molecules is stabilized by the intermolecular interactions.

Keywords: triazole, antibacterial, antimicrobial, antiviral, antifungal, antioxidant

The full text of this paper in pdf-Format:

If you came directly to this page, click this symbol

to go to the homepage of CRT.