6-(1-Adamantyl)-3-(2-chlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
نویسندگان
چکیده
In the title compound, C(19)H(19)ClN(4)S, the 2-chloro-phenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thia-diazole 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 thia-diazole ring, which was modelled as occupying four orientations each with 0.25 occupancy. In the crystal, the chloro-phenyl rings exhibit π-π stacking inter-actions with centroid-centroid distances of 3.9526 (18) Å.
منابع مشابه
6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the title compound, C(19)H(19)FN(4)S, the planes of the 2-fluoro-phenyl and 1,2,4-triazolo[3,4-b][1,3,4]thia-diazole ring systems are oriented at a dihedral angle of 48.98 (6)°. In the crystal, weak C-H⋯S and C-H⋯π inter-actions may help to establish the packing and π-π inter-actions between the centroids of the benzene rings at a distance of 3.8792 (13) Å occur.
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متن کاملSynthesis and Crystal Structures of Azolo[b]1,3,4-Thiadiazinium Bromides
Three azolo[b]1,3,4-thiadiazinium bromides were prepared from the respective N-amino-N'-methylazolethiones and phenacyl bromide, and their crystal structures were determined. 6-Phenyl-1-methylimidazo[2,1-b]1,3,4-thiadiazinium bromide (1) crystallized as methanol solvate (P21/n), 6-phenyl-1-methyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazinium bromide (2) as hemi-ethanol solvate (P21/n), and 6-phenyl-...
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عنوان ژورنال:
دوره 67 شماره
صفحات -
تاریخ انتشار 2011