Crystal and molecular structure of 3-phenyl-4-(p-chlorobenzylamino)-4,5-dihydro-1-H-1,2,4-triazol-5-on by V. T. Yilmaz, E. Agar, K. Guven, B. Kahveci, and S. Sasmaz

Crystal Research and Technology

Cryst. Res. Technol. 39, 811 (2004) - Abstract -

Crystal and molecular structure of 3-phenyl-4-(p-chlorobenzylamino)-4,5-dihydro-1-H-1,2,4-triazol-5-on

V. T. Yilmaz, E. Agar, K. Guven*, B. Kahveci**, and S. Sasmaz**

Department of Chemistry, Faculty of Arts and Sciences, Ondokuz Mayis University, 55139 Kurupelit, Samsun, Turkey
*Department of Physics, Faculty of Arts and Sciences, Kirikkale University, 72450 Yahsihan, Kirikkale, Turkey
**Department of Chemistry, Rize Faculty of Arts and Sciences, Karadeniz Technical University, Rize, Turkey

Keywords	1,2,4-triazole, crystal structure
PACS	61.66.Hq
DOI	10.1002/crat.200310258

The structure of the title compound, C₁₅H₁₃N₄OCl was determined by single crystal X-ray diffraction technique. The structure consists of a p-chlorobenzylamino moiety and triazol and phenyl rings. The title compound crystallizes in the monoclinic space group P2₁/c with a = 14.368(3), b = 6.255(3), c = 17.631(3) Å, β = 113.24(3)°, Z = 4, V = 1455.8(8) Å³ and D_x = 1.372 gcm^-3. The structure was solved by direct methods and refined by full-matrix least-squares method (R=0.0477). The dihedral angle between the triazole moiety and the phenyl ring is 28.8(3)°. The molecular packing is stabilized by N-H…N and N-H…O types of inter molecular hydrogen bonds.

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