3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(tri-fluoro-meth-yl)phen-yl]piperazin-1-yl}meth-yl)-4,5-di-hydro-1H-1,2,4-triazole-5-thione

Abstract

In the title compound, C25H32F3N5S, two independent mol-ecules 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 mol-ecules, indicating that the mol-ecules have an L-shape. In the crystal, a three-dimensional architecture is stabilized by C-H⋯π inter-actions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.27 (9).

Fig. 1.

The molecular structures of the two independent molecules comprising the asymmetric unit of (I) showing the atom-labelling scheme and displacement ellipsoids at the 35% probability level.

Fig. 2.

Overlay diagram of the S1- (red image) and inverted S2-containing molecules (blue) where the triazole rings have been superimposed.

Fig. 3.

View of the unit-cell contents in projection down the b axis of (I). The C—H···π contacts are shown as purple dashed lines.