3-(Adamantan-1-yl)-1-[(4-benzyl-piperazin-1-yl)meth-yl]-4-[(E)-(2-hy-droxy-benzyl-idene)amino]-1H-1,2,4-triazole-5(4H)-thione

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1766-7. doi: 10.1107/S1600536812021204. Epub 2012 May 19.

Abstract

In the title compound, C(31)H(38)N(6)OS, the conformation about the N=C [1.285 (2) Å] imine bond is E. The piperazine ring has a chair conformation and occupies a position almost perpendicular to the plane through the triazole ring; the benzene ring forms a dihedral angle of 31.95 (10)° with the triazole ring. Overall, the mol-ecule has the shape of a flattened bowl. The hy-droxy group is disordered over two positions. The major component has a site-occupancy factor of 0.762 (3) and forms an intra-molecular O-H⋯N(imine) bond to close an S(6) loop. The minor component of the disordered hy-droxy group forms an O-H⋯N(piperazine) hydrogen bond. These, along with C-H⋯S and C-H⋯N inter-actions, link mol-ecules into a three-dimensional architecture.