The novel N, S-substituted nitro dienes from the reactions of some mono (alkylthio)-substituted 2-nitrodienes with piperazine and thiomorpholine and a structural study

Abstract

Thiosubstituted nitrodien compounds 1a-f are obtained from 2-nitropentachlorobutadiene and some alifatic thiols. Compounds 1a-f have reacted with thiomorpholine 2 and yielded 3a-f in CH2Cl2. The compounds 5a-f have been obtained by the reactions of 1a-f with N-(diphenylmethyl)piperazine 4 in CH2Cl2. 2-Nitro-3,4,4-trichloro-1-(ethylthio)-1-[4-(1-diphenylmethyl)-piperazin-1-yl]-1,3-butadiene 5a is synthesized and its crystal structure is determined. The compound 5a crystallizes in the orthorhombic crystal system (space group P2(1)2(1)2(1)) with the unit cell parameters a = 9.4240(2) angstrom, b = 14.4007(2) angstrom, c = 18.1891(2) angstrom, alpha, beta, gamma = 90 degrees, V = 2468.48(7) angstrom(3), Z = 4. The structure has been solved by direct methods (SIR92) and refined to the residual index R-1 = 0.078.