2-[(E)-(2S,5R)-2-Isopropyl-5-methylcyclohexylidene]-N-methylhydrazine-1-carbothioamide

Adriano Bof De Oliveira,Johannes Beck,Jörg Daniels,Renan Lira De Farias

doi:10.1107/s2414314616004594

Adriano Bof De Oliveira, Johannes Beck + Show 2 more

Open Access

https://doi.org/10.1107/s2414314616004594

Copy DOI

Abstract

There are two molecules in the asymmetric unit of the title compound, C12H23N3S, which are linked by two strong N—H...S hydrogen bonds, building a non-centrosymmetric dimer with graph-set motifR22(8). The molecules are further connected by N—H...S interactions into a two-dimensional hydrogen-bonded polymeric structure along the [001] direction. The absolute structure is based on the refinement of the Flack parameter.

Highlights

There are two molecules in the asymmetric unit of the title compound, C12H23N3S, which are linked by two strong N—HÁ Á ÁS hydrogen bonds, building a non-centrosymmetric dimer with graph-set motif R22(8)
The molecules are further connected by N—HÁ Á ÁS interactions into a two-dimensional hydrogenbonded polymeric structure along the [001] direction
As part of our ongoing research on the synthesis and chemical structure of thiosemicarbazone derivatives from natural products, we report the crystal structure of a (À)-menthone-thiosemicarbazone compound

Summary

Structure description

As part of our ongoing research on the synthesis and chemical structure of thiosemicarbazone derivatives from natural products, we report the crystal structure of a (À)-menthone-thiosemicarbazone compound. In the crystal structure of the title compound, there are two discrete molecules in general positions in the asymmetric unit. As enantiopure (À)-menthone was used in the chemical reaction, both of the crystallographically independent molecules have the same chirality. The atoms C3, C6, C15 and C18 are chiral centres and maintain the chirality of the employed reagent and the obtained product emerges as enantiopure crystals in the non-centrosymmetric space group P21. The cyclohexane rings of the menthone units are in a chair conformation (Fig. 1). Both of these conformations are observed for the (À)-menthone-3-thiosemicarbazone derivative (Oliveira et al, 2014)

DÁ Á ÁA

Absolute structure parameter

Horizonally mounted graphite crystal monochromator

Special details