Crystal structure of 3-benzyl-1-[(cyclo-hexyl-idene)amino]-thio-urea

Acta Crystallogr E Crystallogr Commun. 2015 Nov 14;71(Pt 12):o933-4. doi: 10.1107/S205698901502112X. eCollection 2015 Dec 1.

Abstract

The conformation of the title compound, C14H19N3S, is partially determined by an intra-molecular N-H⋯N hydro-gen-bond inter-action, although the N-H⋯N angle of 108° is quite small. The cyclo-hexyl-idene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers, with an R 2 (2)(8) ring motif. The dimers are reinforced by pairs of C-H⋯S hydrogen bonds, and are linked by further weak C-H⋯S hydrogen bonds, forming chains propagating along [100].

Keywords: chelating agents; crystal structure; hydrogen bonding; thio­ureas.