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3-(Adamantan-1-yl)-4-methyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione dichloro­methane hemisolvate

The asymmetric unit of the title dichloro­methane hemisolvate, C(24)H(33)N(5)S·0.5CH(2)Cl(2), comprises an adamantan­yl/triazole derivative and half a CH(2)Cl(2) mol­ecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and...

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Detalles Bibliográficos
Autores principales: El-Emam, Ali A., Al-Omar, Mohamed A., Al-Tamimi, Abdul-Malek S., 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/PMC3379353/
https://www.ncbi.nlm.nih.gov/pubmed/22719551
http://dx.doi.org/10.1107/S1600536812021393
Descripción
Sumario:The asymmetric unit of the title dichloro­methane hemisolvate, C(24)H(33)N(5)S·0.5CH(2)Cl(2), comprises an adamantan­yl/triazole derivative and half a CH(2)Cl(2) mol­ecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N—N—C—N torsion angle = −79.9 (3)°] so that to a first approximation, the mol­ecule has an L-shape. Linear supra­molecular chains parallel to [001] are formed via C—H⋯S inter­actions. Two such chains are linked into a double chain via C—H⋯Cl inter­actions involving the disordered CH(2)Cl(2) mol­ecules of solvation.