3-(Adamantan-1-yl)-4-[(E)-(2,6-difluoro-benzyl-idene)amino]-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione.
The imine residue [C=N = 1.268 (3) Å; conformation = E] is twisted [N-N-C-N = 87.8 (2)°] out of the plane (r.m.s. deviation = 0.016 Å) of the central 1,2,4-triazole ring in the title compound, C(30)H(34)F(2)N(6)S. A small twist also occurs between the imine and terminal benzene rings [N-C-C-C = -169.8 (2)°]. The piperazine ring (chair conformation) occupies a position almost normal to the central plane [N-N-C-N = 87.8 (2)°]. In the crystal, the mol-ecules are consolidated into a three-dimensional architecture via C-H⋯S, C-H⋯π and π-π inter-actions, the latter between centrosymmetrically related difluoro-benzene rings [inter-centroid distance = 3.9389 (18) Å].
Ali A
AA
El-Emam
Ebtehal S
ES
Al-Abdullah
Nasser R
NR
El-Brollosy
Seik Weng
SW
Ng
Edward R T
ER
Tiekink