4-Ethyl-3-(2-thienylmethyl)-Δ2-1,2,4-triazoline-5-thione
نویسندگان
چکیده
The title compound, C(9)H(11)N(3)S(2), exists in the thione form in the crystal structure. The central triazole ring is almost perpendicular to the thio-phene ring which is disordered over two orientations [dihedral angles of 88.5 (7) and 85.7 (8)° for the two orientations]. The crystal structure is stabilized by strong inter-molecular N-H⋯S hydrogen bonds, forming centrosymmetric dimers, and by some weak C-H⋯S inter-actions.
منابع مشابه
Synthesis, antimicrobial, and anti-inflammatory activity, of novel S-substituted and N-substituted 5-(1-adamantyl)-1,2,4-triazole-3-thiols
The reaction of 5-(1-adamantyl)-4-phenyl-1,2,4-triazoline-3-thione (compound 5) with formaldehyde and 1-substituted piperazines yielded the corresponding N-Mannich bases 6a-f. The reaction of 5-(1-adamantyl)-4-methyl-1,2,4-triazoline-3-thione 8 with various 2-aminoethyl chloride yielded separable mixtures of the S-(2-aminoethyl) 9a-d and the N-(2-aminoethyl) 10a-d derivatives. The reaction of c...
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The five-membered ring of the title compound Δ(1)-1,2,4-triazoline-5-thione, C(11)H(13)N(3)S, is almost planar (r.m.s. deviation = 0.009 Å); the phenyl ring is aligned at 84.6 (2)° with respect to the five-membered ring. The crystal studied was a racemic twin with an approximate 20% minor twin component. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure.
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The title compound, C7H11N3O2S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010 (2) Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061 (4) Å for the methyl-ene C atom of the eth-oxy group. The angle between the mean plane of this substituent and the mean plane ...
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