Ontology highlight
ABSTRACT:
SUBMITTER: Akhtar T
PROVIDER: S-EPMC2970152 | biostudies-literature | 2009 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20090808 Pt 9
In the title compound, C(10)H(8)Cl(2)N(2)O(2)S·0.5H(2)O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds involving the water mol-ecule, which is situated on an a twofold rotation axis, and two organic mol-ecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp(3) hybridization. The dihedral angle between the mean plane o ...[more]