Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



hg5307 scheme

Acta Cryst. (2013). E69, o695-o696    [ doi:10.1107/S1600536813009495 ]

3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

Abstract: In the title compound, C25H32F3N5S, two independent molecules comprise the asymmetric unit and are related across a pseudo-centre of inversion. The piperazine rings have chair conformations with each N-bound substituent occupying an equatorial position so that the dihedral angles between the planes of the triazole and benzene ring are 78.20 (19) and 79.10 (19)° for the two independent molecules, indicating that the molecules have an L-shape. In the crystal, a three-dimensional architecture is stabilized by C-H...[pi] interactions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.27 (9).


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