Cargando…

4-Benzyl-N-methyl­piperazine-1-carbothio­amide

The asymmetric unit in the title thio­urea derivative, C(13)H(19)N(3)S, comprises three independent mol­ecules (A, B and C). The thio­urea groups are superimposable for the three mol­ecules, but there are significant conformational differences. Mol­ecules A and B are approximate mirror images of eac...

Descripción completa

Detalles Bibliográficos
Autores principales: Alanazi, Amer M., El-Emam, Ali A., El-Brollosy, Nasser R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295486/
https://www.ncbi.nlm.nih.gov/pubmed/22412597
http://dx.doi.org/10.1107/S1600536812005685
Descripción
Sumario:The asymmetric unit in the title thio­urea derivative, C(13)H(19)N(3)S, comprises three independent mol­ecules (A, B and C). The thio­urea 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 supra­molecular 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.