Date Published: April 01, 2011
Publisher: International Union of Crystallography
Author(s): M. Nawaz Tahir, Mahmood-ul-Hassan Khan, Shahid Hammed, Tanveer Hussain Bokhari, Saira Hina.
In the title compound, C19H19ClN4S, the 2-chlorophenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thiadiazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C—C bond to the thiadiazole ring, which was modelled as occupying four orientations each with 0.25 occupancy. In the crystal, the chlorophenyl rings exhibit π–π stacking interactions with centroid–centroid distances of 3.9526 (18) Å.
For background and the structure of the fluoro analogue, see: Khan et al. (2009 ▶).