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...

Descripción completa

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
_version_ 1782237724665708544
author Fun, Hoong-Kun
Arshad, Suhana
Nithinchandra,
Kalluraya, Balakrishna
Shetty, Shobhitha
author_facet Fun, Hoong-Kun
Arshad, Suhana
Nithinchandra,
Kalluraya, Balakrishna
Shetty, Shobhitha
author_sort Fun, Hoong-Kun
collection PubMed
description 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.
format Online
Article
Text
id pubmed-3393331
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33933312012-07-17 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate Fun, Hoong-Kun Arshad, Suhana Nithinchandra, Kalluraya, Balakrishna Shetty, Shobhitha Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393331/ /pubmed/22807888 http://dx.doi.org/10.1107/S1600536812025305 Text en © Fun et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Organic Papers
Fun, Hoong-Kun
Arshad, Suhana
Nithinchandra,
Kalluraya, Balakrishna
Shetty, Shobhitha
3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title_full 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title_fullStr 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title_full_unstemmed 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title_short 3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate
title_sort 3-(1-benzofuran-2-yl)-1h-1,2,4-triazole-5(4h)-thione monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393331/
https://www.ncbi.nlm.nih.gov/pubmed/22807888
http://dx.doi.org/10.1107/S1600536812025305
work_keys_str_mv AT funhoongkun 31benzofuran2yl1h124triazole54hthionemonohydrate
AT arshadsuhana 31benzofuran2yl1h124triazole54hthionemonohydrate
AT nithinchandra 31benzofuran2yl1h124triazole54hthionemonohydrate
AT kallurayabalakrishna 31benzofuran2yl1h124triazole54hthionemonohydrate
AT shettyshobhitha 31benzofuran2yl1h124triazole54hthionemonohydrate

Ejemplares similares