TY - JOUR
T1 - 2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole
AU - Fun, Hoong Kun
AU - Chantrapromma, Suchada
AU - Chandrakantha, B.
AU - Isloor, Arun M.
AU - Shetty, Prakash
PY - 2011/1/1
Y1 - 2011/1/1
N2 - 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⋯π interactions and a short C⋯O contact [3.005 (7) Å] are present.
AB - 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⋯π interactions and a short C⋯O contact [3.005 (7) Å] are present.
UR - http://www.scopus.com/inward/record.url?scp=78650746248&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=78650746248&partnerID=8YFLogxK
U2 - 10.1107/S1600536810052505
DO - 10.1107/S1600536810052505
M3 - Article
AN - SCOPUS:78650746248
SN - 1600-5368
VL - 67
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 1
ER -