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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...
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/PMC3379353/ https://www.ncbi.nlm.nih.gov/pubmed/22719551 http://dx.doi.org/10.1107/S1600536812021393 |
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. |
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