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 P2₁2₁2₁) with the unit cell parameters a = 9.4240(2) Å, b = 14.4007(2) Å, c = 18.1891(2) Å, ⍺ β, ϒ= 90º, V = 2468.48(7) ų, Z = 4. The structure has been solved by direct methods (SIR92) and refined to the residual index R₁ = 0.078.