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

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          Abstract

          In the title hydrate, C 10H 7N 3OS·H 2O, the essentially planar benzofuran [maximum deviation = 0.006 (1) Å] and 4,5-dihydro-1 H-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.

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          Author and article information

          Journal
          Acta Crystallogr Sect E Struct Rep Online
          Acta Crystallogr Sect E Struct Rep Online
          Acta Cryst. E
          Acta Crystallographica Section E: Structure Reports Online
          International Union of Crystallography
          1600-5368
          01 July 2012
          13 June 2012
          13 June 2012
          : 68
          : Pt 7 ( publisher-idID: e120700 )
          : o2067
          Affiliations
          [a ]X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
          [b ]Department of Studies in Chemistry, Mangalore University, Mangalagangothri 574 199, Karnataka, India
          Author notes
          Correspondence e-mail: hkfun@ 123456usm.my
          [‡]

          Thomson Reuters ResearcherID: A-3561-2009.

          Article
          hb6837 ACSEBH S1600536812025305
          10.1107/S1600536812025305
          3393331
          22807888
          ee170264-f7bb-4ea5-bcc2-96d740c807d7
          © Fun et al. 2012

          This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

          History
          : 03 June 2012
          : 04 June 2012
          Categories
          Organic Papers

          Materials characterization
          Materials characterization

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