3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2, 4-triazole-5(4H)-thione dichloromethane hemisolvate

Abstract

The asymmetric unit of the title dichloromethane hemisolvate, C 24H33N5S·0.5CH2Cl 2, comprises an adamantanyl/triazole derivative and half a CH 2Cl2 molecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N - N - C - N torsion angle = -79.9 (3)°] so that to a first approximation, the molecule has an L-shape. Linear supramolecular chains parallel to [001] are formed via C - H⋯S interactions. Two such chains are linked into a double chain via C - H⋯Cl interactions involving the disordered CH2Cl2 molecules of solvation.