4-Benzyl-N-methylpiperazine-1-carbothioamide

Abstract

The asymmetric unit in the title thio-urea derivative, C 13H 19N 3S, comprises three independent molecules (A, B and C). The thio-urea groups are superimposable for the three molecules, but there are significant conformational differences. molecules A and B are approximate mirror images of each other, and molecule C has an intermediate conformation. The dihedral angles between the thiourea groups and the phenyl rings are 52.10 (5), 63.29 (5) and 66.46 (6)° in molecules A, B and C, respectively. Each independent molecule self-associates into a supra-molecular chain along [100] via N - H⋯S hydrogen bonds. molecules of A and B assemble into layers four molecules thick in the ac plane via C - H⋯S and C - H⋯π interactions. molecules of C self-assemble into layers in the ac plane via C - H⋯S interactions. The layers stack along the b axis with no specific interactions between them.