Cargando…

Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol

In the title compound, C(9)H(9)N(3)OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Yong-Le, Zhang, Chuang, Guo, Wei, Wang, Jing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257201/
https://www.ncbi.nlm.nih.gov/pubmed/25484697
http://dx.doi.org/10.1107/S1600536814019965
_version_ 1782347699389988864
author Zhang, Yong-Le
Zhang, Chuang
Guo, Wei
Wang, Jing
author_facet Zhang, Yong-Le
Zhang, Chuang
Guo, Wei
Wang, Jing
author_sort Zhang, Yong-Le
collection PubMed
description In the title compound, C(9)H(9)N(3)OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H⋯N hydrogen-bond inter­actions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
format Online
Article
Text
id pubmed-4257201
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-42572012014-12-05 Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol Zhang, Yong-Le Zhang, Chuang Guo, Wei Wang, Jing Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(9)H(9)N(3)OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H⋯N hydrogen-bond inter­actions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network. International Union of Crystallography 2014-09-13 /pmc/articles/PMC4257201/ /pubmed/25484697 http://dx.doi.org/10.1107/S1600536814019965 Text en © Zhang et al. 2014 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 Data Reports
Zhang, Yong-Le
Zhang, Chuang
Guo, Wei
Wang, Jing
Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title_full Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title_fullStr Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title_full_unstemmed Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title_short Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
title_sort crystal structure of 4-{[(1h-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257201/
https://www.ncbi.nlm.nih.gov/pubmed/25484697
http://dx.doi.org/10.1107/S1600536814019965
work_keys_str_mv AT zhangyongle crystalstructureof41h124triazol1ylmethylsulfanylphenol
AT zhangchuang crystalstructureof41h124triazol1ylmethylsulfanylphenol
AT guowei crystalstructureof41h124triazol1ylmethylsulfanylphenol
AT wangjing crystalstructureof41h124triazol1ylmethylsulfanylphenol