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Title: 2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole
Authors: Fun, H.-K.
Chantrapromma, S.
Chandrakantha, B.
Isloor, A.M.
Shetty, P.
Issue Date: 2011
Citation: Acta Crystallographica Section E: Structure Reports Online, 2011, Vol.67, 1, pp.o205-o206
Abstract: The molecule of the title thiadiazole derivative, C11H 11N3O2S2, 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?? interactions and a short C?O contact [3.005 (7) ] are present.
URI: 10.1107/S1600536810052505
Appears in Collections:1. Journal Articles

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