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—H⋯O 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—H⋯O and O—H⋯S hydrogen bonds.
Highlights
In the title compound, C10H8Cl2N2O2S0.5H2O, the atoms in the oxadiazole ring are essentially coplanar
H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3
N—H O 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
Summary
Rint = 0.019 a Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan, and bDepartment of Chemistry, Capital Normal University, Beijing Taiyuan 100037, People’s Republic of China. H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3. C10H8Cl2N2O2S0.5H2O, the atoms in the oxadiazole ring are essentially coplanar N—H O 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 sp 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—H O and O—H S hydrogen bonds
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More From: Acta crystallographica. Section E, Structure reports online
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