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3-(Adamantan-1-yl)-4-[(E)-(2,6-di-fluoro-benzyl-idene)amino]-1-[(4-ethyl-piperazin-1-yl)meth-yl]-4,5-di-hydro-1H-1,2,4-triazole-5-thione.

ABSTRACT: In the title compound, C26H34F2N6S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255?(2)?Å; conformation: E], with a dihedral angle of 25.21?(11)° between the rings. The 4-ethyl-piperazinyl residue is folded away from the thione-S atom. In the crystal, helical supra-molecular chains propagating along [010] and sustained by weak C-S??(triazole) inter-actions occur [S?centroid distance = 3.2872?(10)?Å]. Links between these chains are of the type benzene-C-H?N(imine) and ?-? [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241?(15)?Å] and result in a three-dimensional architecture.

SUBMITTER: Al-Tamimi AM 

PROVIDER: S-EPMC3647879 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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3-(Adamantan-1-yl)-4-[(E)-(2,6-di-fluoro-benzyl-idene)amino]-1-[(4-ethyl-piperazin-1-yl)meth-yl]-4,5-di-hydro-1H-1,2,4-triazole-5-thione.

Al-Tamimi Abdul-Malek S AM   Al-Abdullah Ebtehal S ES   El-Emam Ali A AA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

In the title compound, C26H34F2N6S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethyl-piperazinyl residue is folded away from the thione-S atom. In the crystal, helical supra-molecular chains propagating along [010] and sustained by weak C-S⋯π(triazole) inter-actions occur [S⋯centroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C-H⋯N(imine) and  ...[more]

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