Research Article: 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole

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.

http://doi.org/10.1107/S1600536811011391

Abstract

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.

Partial Text

For background and the structure of the fluoro analogue, see: Khan et al. (2009 ▶).

Source:

http://doi.org/10.1107/S1600536811011391