Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



hb7065 scheme

Acta Cryst. (2013). E69, o685-o686    [ doi:10.1107/S1600536813009264 ]

3-(Adamantan-1-yl)-4-[(E)-(2,6-difluorobenzylidene)amino]-1-[(4-ethylpiperazin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

A.-M. S. Al-Tamimi, E. S. Al-Abdullah, A. A. El-Emam, S. W. Ng and E. R. T. Tiekink

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-ethylpiperazinyl residue is folded away from the thione-S atom. In the crystal, helical supramolecular chains propagating along [010] and sustained by weak C-S...[pi](triazole) interactions occur [S...centroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C-H...N(imine) and [pi]-[pi] [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241 (15) Å] and result in a three-dimensional architecture.


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