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

In the title hydrate, C(10)H(7)N(3)OS·H(2)O, 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 mol­ec...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Arshad, Suhana, Nithinchandra, Kalluraya, Balakrishna, Shetty, Shobhitha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393331/
https://www.ncbi.nlm.nih.gov/pubmed/22807888
http://dx.doi.org/10.1107/S1600536812025305
Descripción
Sumario:In the title hydrate, C(10)H(7)N(3)OS·H(2)O, 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.

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