Ontology highlight
ABSTRACT:
SUBMITTER: Fun HK
PROVIDER: S-EPMC3050181 | biostudies-literature | 2010 Dec
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20101224 Pt 1
The mol-ecule of the title thia-diazole derivative, C(11)H(11)N(3)O(2)S(2), has a butterfly-like structure and the whole mol-ecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The mol-ecule is disordered in such a way that the 3-methyl-4-nitro-phenyl 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-thia-diazole and benzene rings is 70.8 (4)° in the major component and 74.9 (6)° i ...[more]