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Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C(18)H(19)BrFN(3)S, the 1,2,4-triazole ring is nearly planar with a maximum deviation of −0.009 (3) and 0.009 (4) Å, respectively, for the S-bound C atom and the N atom bonded to the bromofluorophenyl ring. The phenyl and triazole rings are almost perpendicular to each other...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001835/ https://www.ncbi.nlm.nih.gov/pubmed/32071740 http://dx.doi.org/10.1107/S2056989020000092 |
Sumario: | In the title compound, C(18)H(19)BrFN(3)S, the 1,2,4-triazole ring is nearly planar with a maximum deviation of −0.009 (3) and 0.009 (4) Å, respectively, for the S-bound C atom and the N atom bonded to the bromofluorophenyl ring. The phenyl and triazole rings are almost perpendicular to each other, forming a dihedral angle of 89.5 (2)°. In the crystal, the molecules are linked by weak C—H⋯π(phenyl) interactions, forming supramolecular chains extending along the c-axis direction. The crystal packing is further consolidated by intermolecular N—H⋯S hydrogen bonds and by weak C—H⋯S interactions, yielding double chains propagating along the a-axis direction. The crystal studied was refined as a racemic twin. |
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