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6-(1-Adamantyl)-3-(2-chlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the title compound, C(19)H(19)ClN(4)S, the 2-chlorophenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thiadiazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099922/ https://www.ncbi.nlm.nih.gov/pubmed/21754038 http://dx.doi.org/10.1107/S1600536811011391 |
Sumario: | In the title compound, C(19)H(19)ClN(4)S, the 2-chlorophenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thiadiazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C—C bond to the thiadiazole ring, which was modelled as occupying four orientations each with 0.25 occupancy. In the crystal, the chlorophenyl rings exhibit π–π stacking interactions with centroid–centroid distances of 3.9526 (18) Å. |
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