Acta Crystallographica Section E (Jul 2012)

3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate

  • Hoong-Kun Fun,
  • Suhana Arshad,
  • Nithinchandra,
  • Balakrishna Kalluraya,
  • Shobhitha Shetty

DOI
https://doi.org/10.1107/S1600536812025305
Journal volume & issue
Vol. 68, no. 7
pp. o2067 – o2067

Abstract

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In the title hydrate, C10H7N3OS·H2O, the essentially planar benzofuran [maximum deviation = 0.006 (1) Å] and 4,5-dihydro-1H-1,2,4-triazole [maximum deviation = 0.007 (1) Å] rings form a dihedral angle of 11.67 (6)°. In the crystal, O—H...N, O—H...S, N—H...O and N—H...S hydrogen bonds link the molecules into sheets lying parallel to the bc plane. Aromatic π–π stacking interactions [centroid–centroid distances = 3.5078 (8)–3.6113 (8) Å] are also observed.