5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate
Surayyo RazzoqovaNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St, Tashkent, 100174, UzbekistanShakhnoza KadirovaNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St, Tashkent, 100174, UzbekistanJamshid AshurovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, 83 M. Ulugbek St, Tashkent 700125, UzbekistanDilnoza RakhmonovaNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St, Tashkent, 100174, UzbekistanA. A. ZiyaevInstitute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, 77 M. Ulugbek St, Tashkent 100170, UzbekistanN.A. ParpievNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St, Tashkent, 100174, Uzbekistan
ABI
Abstract
The title 1,3,4-oxadiazole derivative crystallizes as a hemihydrate, C 8 H 6 N 2 O 2 S·0.5H 2 O, with the water molecule located on a twofold rotation axis. The 1,3,4-oxadiazole molecule is essentially planar, the r.m.s. deviation of the non-H atoms being 0.0443 Å. The dihedral angle between the mean planes of the phenyl and oxadiazole rings is 6.101 (17)°. In the crystal, molecules are linked via O—H...S and N—H...O hydrogen bonds involving the water molecule, the N—H group and the thione S atom into undulating ribbons. Additional π–π interactions generate a two-dimensional supramolecular framework extending parallel to (001).
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