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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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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 |
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