Crystal structure of ( E )-^ V-( 4-( dimethylamino ) benzylidene )-3-( 2 , 4-dinitrophenylthio )-5-( 4-methoxyphenyl )-4 f /-l , 2 , 4-triazol-4-amine , C 2 4 H 2 1 N 7 O 5 S

C 2 4 H 2 1 N 7 O 5 S , triclinio, PI (no. 2), a = 8.695(2) Â, b = 10.724(3) Â, c = 13.053(3) Â, a = 77.489(4)°, β = 89.409(4)°,γ = 88.171(4)°, V= 1187.6Â, Z = 2, Rgi(F) = 0.088, wRntfF) = 0.193, T= 298 K. Source of material The (£)-4-(4-(dimethylamino)-benzylideneamino)-3-(4methoxyphenyl)-1//-1,2,4-triazole-5(4W)-thione was synthesized by die reaction of 4-amino-3-(4-methoxyphenyl)-1 H-1,2,4triazole-5(4f/)-thione (0.005 mol) and 4-(dimethylamino)benzaldehyde (0.005 mol) with concentrated hydrochloric acid ( 1 ml) in ethanol (20 ml) refluxed for 3 h. And the triazole was prepared following the literature method of [1]. The title compound was prepared by the reaction of (£)-4-(4-(dimethylamino)benzylideneamino)-3-(4-methoxyphenyl)-l//-l,2,4-triazole5(4//)-thione (0.002 mol) and l-chloro-2,4-dinitrobenzene (0.002 mol) in the mixed solution of triethylamine (10 ml) and ethanol (20 ml). The mixture was refluxed for about 10 minutes and the desired product was obtained by filtration, drying and reciystallization from pyridine. Single crystals suitable for X-ray data collection were obtained by slow evaporation of a pyridine solution. 1.2 i/eq(parent atom), and d(Csp—H) = 0.96 or 0.97 Â with i/iso = 1.5 i/eq(parent atom). Discussion A few (£)-N-benzylidene-3-alkylthio-5-substituted-4/f-1,2,4triazol-4-amines have been reported to exhibit antifungal activity [2,3], antimicrobial properties [4,5], anticonvulsant activity [6], and antitumour effects [7]. It is to be expected that their arylsubstituted analogues (£)-N-benzylidene-3-arylthio-5substituted-4//-1,2,4-tri azoici-amines can exhibit the superposition of diversiform biological and pharmacological activities because they join aryl (containing heterocyclic radical), imine, thioether and other groups. One paper has showed (E)-Nbenzylidene-3-arylthio-5-substituted-4//-1,2,4-triazol-4-amines can be used as potential HIV-1 NNRTIs at present [8]. Therefore, the development of efficient methods for the synthesis of this class of compounds is of much importance. In the crystal structure of the title compound the bond lengths and angles are usual. The triazole ring and three benzene rings are each essentially planar. It is very interesting that the three benzene rings are approaching mutually perpendicular, and in the meantime the triazole ring and the two benzenes (C19-C24 and Cl 1-C16) are approximate mutually perpendicular, too. The dihedral angle between the benzene ring (C2-C7) and the triazole ring is only 23.1(2)°. In the triazole ring the bond length of NI—C8 (mean 1.322(5) Â) and N2—C9 (mean 1.309(5) Â) are obviously shorter than that of N3—C8 (mean 1.365(5) Â) and N3—C9 (mean 1.369(5) Â) [9-11], which indicates that the bonds of N1=C8 and N2=C9 are double ones while that of N3—C8 and N3—C9 are single ones. Table 1. Data collection and handling. Crystal: Wavelength: