5-(Adamantan-1-yl)-3-(benzyl-sulfan-yl)-4-methyl-4H-1,2,4-triazole.
In the asymmetric unit of the title adamantyl derivative, C(20)H(25)N(3)S, there are two crystallographic independent mol-ecules with slightly different conformations. In one mol-ecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2):0.37 (2). The dihedral angles between the 1,2,4-triazole and phenyl rings are 24.3 (8) (major component) and 25.8 (13)° (minor component) in the disordered mol-ecule, whereas the corresponding angle is 51.53 (16)° in the other mol-ecule. In the crystal, mol-ecules are linked into a chain along the a axis by a weak C-H⋯N inter-action. Weak C-H⋯π inter-actions are also observed.
Ebtehal S
ES
Al-Abdullah
Ali A
AA
El-Emam
Hazem A
HA
Ghabbour
Suchada
S
Chantrapromma
Hoong-Kun
HK
Fun