[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2011). E67, o205-o206  [ doi:10.1107/S1600536810052505 ]

2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole

H.-K. Fun, S. Chantrapromma, B. Chandrakantha, A. M. Isloor and P. Shetty

Abstract: The molecule of the title thiadiazole derivative, C11H11N3O2S2, has a butterfly-like structure and the whole molecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The molecule is disordered in such a way that the 3-methyl-4-nitrophenyl units of the major and minor components are approximately related by 180° rotation around the C-N bond axis. The dihedral angle between the 1,3,4-thiadiazole and benzene rings is 70.8 (4)° in the major component and 74.9 (6)° in the minor component. In the crystal, molecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak intermolecular C-H...O and C-H...[pi] interactions and a short C...O contact [3.005 (7) Å] are present.

Online 24 December 2010


Copyright © International Union of Crystallography
IUCr Webmaster