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

Date Published: July 01, 2012

Publisher: International Union of Crystallography

Author(s): Hoong-Kun Fun, Suhana Arshad, Nithinchandra, Balakrishna Kalluraya, Shobhitha Shetty.

http://doi.org/10.1107/S1600536812025305

Abstract

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.

Partial Text

For background to 1,2,4-triazoles, see: Shujuan et al. (2004 ▶); Clemons et al. (2004 ▶); Johnston (2002 ▶); Wei et al. (2007 ▶). For related structures, see: Jing et al. (2012 ▶); Fun et al. (2011 ▶); Abdel-Aziz et al. (2011 ▶). For stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).

 

Source:

http://doi.org/10.1107/S1600536812025305

 

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