Ontology highlight
ABSTRACT:
SUBMITTER: Fun HK
PROVIDER: S-EPMC3344617 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20120425 Pt 5
In the title compound, C(14)H(12)BrClN(4)OS, the thienyl ring is disordered over two orientations with a site-occupancy ratio of 0.853 (2):0.147 (2). The mol-ecule is roughly planar, with the dihedral angles between the thienyl and benzene rings being 6.24 (16) and 9.7 (11)° for the major and minor components, respectively. The central fragment is almost planar [r.m.s. deviation = 0.0275 (2) Å for the ten non-H atoms]. The mean plane through this middle unit makes a dihedral angle of 2.71 (7)° w ...[more]