Acta Cryst. (2009). E65, o2075-o2076  [ doi:10.1107/S1600536809029894 ]

5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate

T. Akhtar, M. Khawar Rauf, S. Hameed and X. Lu

Abstract: In the title compound, C₁₀H₈Cl₂N₂O₂S·0.5H₂O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by intermolecular N-HO hydrogen bonds involving the water molecule, which is situated on an a twofold rotation axis, and two organic molecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp³ hybridization. The dihedral angle between the mean plane of the benzene ring of the dichlorophenyl group and the mean plane of the oxadiazole ring is 74.18 (4)°. The crystal structure is stabilized by intermolecular N-HO and O-HS hydrogen bonds.

Online 8 August 2009

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