Synthesis and crystal structure of N-tert-butyl-N′-thio [O-(1-methylthioethylimino)-N″-methylcarbamic acid]-N,N′-dibenzoylhydrazine

Abstract

The novel compound N-tert-butyl-N′-thio[O-(1-methylthioethylimino)-N″-methyl carbamic acid]- N,N′-dibenzoylhydrazine has been synthesized by the reaction of N-tert-butyl-N,N′-dibenzoylhydrazine with N-sulfenyl chloride of O-(1-methylthio ethylimino) -N-methylcarbamic acid. Its structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic, space group P2(1)/n with the following crystallographic parameters: a = 7.569(3) A, b = 20.585(7) A, c = 16.347(5) A, α = 90∘, β = 92.606(6)∘, γ = 90∘, V = 2544.4(14) A3, z = 4, Dx = 1.276 mg/m3, F(000) = 1032, T = 293(2) K, 2.34∘≤ θ≤ 25.01∘, the final R factor: R 1 = 0.0475, wR 2 = 0.0907. The N–N bond adopts a gauche conformation with a dihedral angle(φ) of 98.8∘ for C(17)=N(1)=N(2)=C(7), whereas its parent compound N-tert-butyl-N,N′-dibenzoyl hydrazine has the dihedral angle of −71.8∘.