Crystal structure of 4-[(Benzylidene-amino)]-2-(2-oxo-2-phenylethyl)-5-thiophen-2-ylmethyl-2,4-dihydro-[1,2,4]triazol-3-one

Abstract

The molecular structure of the title compound C22H18N4O2S was characterized by single crystal X-ray diffraction method. The compound crystallizes in the orthorhombic space group Pbca with a = 10.1970 (4) , b = 26.8880 (5) , c = 15.2119 (13) , Z = 8, V = 4170.8 (4) (3). In the title compound, benzyl rings and thiophene ring are bridged by 1,2,4-triazole ring system. The thiophene ring is disordered over two positions, which are approximately parallel and oppositely orientated. The major component refined to a siteoccupancy factor of 0.731 (3). An intramolecular C-Ha <-O hydrogen bond generates an S(6) ring motif. In the crystal, a C-Ha <-O hydrogen bond links the molecules into a C(6) chain along the c axis. A weak C-Ha <-pi interaction also occurs.