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

Abstract

The structure of the title compound, C<inf>15</inf>H<inf>13</inf>N <inf>4</inf>OCl 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 P2 <inf>1</inf>/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<inf>x</inf> = 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. © 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.