Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea

Abstract

The conformation of the title compound, C14H19N3S, is partially determined by an intramolecular N—H...N hydrogen-bond interaction, although the N—H...N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers, with an R22(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

• crystal structure
• thioureas
• chelating agents
• hydrogen bonding