4-{1-[4-(4-Bromo-phen-yl)-1,3-thia-zol-2-yl]-5-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl}-5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazole

Abstract

In the title compound, C(28)H(22)BrFN(6)S, the central pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The dihedral angles between the least-squares plane through this ring and the adjacent thia-zole [18.81 (15)°] and triazole [1.83 (16)°] rings indicate a twist in the mol-ecule. A further twist is evident by the dihedral angle of 64.48 (16)° between the triazole ring and the attached benzene ring. In the crystal, C-H⋯N, C-H⋯F, C-H⋯π and π-π inter-actions [occurring between the thia-zole and triazole rings, centroid-centroid distance = 3.571 (2) Å] link mol-ecules into a three-dimensional architecture. The sample studied was a non-merohedral twin; the minor twin component refined to 47.16 (7)%.

Fig. 1.

The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 70% probability level.

Fig. 2.

A view in projection down the c axis of the unit-cell contents for (I). The C—H···N, C—H···F, C—H···π and π—π interactions are shown as blue, orange, purple and brown dashed lines, respectively.