4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol

The title compound, C(16)H(14)N(6)O, was prepared by the condensation of 4-(trifluoro­meth­yl)phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7 (2), 71.2 (3) and 95.8 (2)°. The mol­ecules are associated into dimers by pairs of...

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Detalles Bibliográficos
Autores principales: Chen, Xiao-Yan, Yang, Xiaoping, Holliday, Bradley J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247439/
https://www.ncbi.nlm.nih.gov/pubmed/22220057
http://dx.doi.org/10.1107/S1600536811043042
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author Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
author_facet Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
author_sort Chen, Xiao-Yan
collection PubMed
description The title compound, C(16)H(14)N(6)O, was prepared by the condensation of 4-(trifluoro­meth­yl)phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7 (2), 71.2 (3) and 95.8 (2)°. The mol­ecules are associated into dimers by pairs of inter­molecular O—H⋯N hydrogen bonds involving the hy­droxy groups and pyrazole N atoms. In addition, π–π stacking between the phenol rings of these inversion-related dimers is observed, with a ring centroid-to-centroid distance of 3.9247 (10) Å.
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spelling pubmed-32474392012-01-04 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol Chen, Xiao-Yan Yang, Xiaoping Holliday, Bradley J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(14)N(6)O, was prepared by the condensation of 4-(trifluoro­meth­yl)phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7 (2), 71.2 (3) and 95.8 (2)°. The mol­ecules are associated into dimers by pairs of inter­molecular O—H⋯N hydrogen bonds involving the hy­droxy groups and pyrazole N atoms. In addition, π–π stacking between the phenol rings of these inversion-related dimers is observed, with a ring centroid-to-centroid distance of 3.9247 (10) Å. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247439/ /pubmed/22220057 http://dx.doi.org/10.1107/S1600536811043042 Text en © Chen et al. 2011 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
Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title_full 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title_fullStr 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title_full_unstemmed 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title_short 4-[Tris(1H-pyrazol-1-yl)meth­yl]phenol
title_sort 4-[tris(1h-pyrazol-1-yl)meth­yl]phenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247439/
https://www.ncbi.nlm.nih.gov/pubmed/22220057
http://dx.doi.org/10.1107/S1600536811043042
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AT yangxiaoping 4tris1hpyrazol1ylmethylphenol
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