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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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. |
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