1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone

In the mol­ecule of the title compound, C(10)H(9)N(3)O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, inter­molecular C—H⋯O and C—H⋯N hydrogen bonds link the mol­ecules. There are C—H⋯π contacts between the 1,2,4-...

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Detalles Bibliográficos
Autores principales: Özel Güven, Özden, Tahtacı, Hakan, Coles, Simon J., Hökelek, Tuncer
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962216/
https://www.ncbi.nlm.nih.gov/pubmed/21203297
http://dx.doi.org/10.1107/S1600536808023258
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author Özel Güven, Özden
Tahtacı, Hakan
Coles, Simon J.
Hökelek, Tuncer
author_facet Özel Güven, Özden
Tahtacı, Hakan
Coles, Simon J.
Hökelek, Tuncer
author_sort Özel Güven, Özden
collection PubMed
description In the mol­ecule of the title compound, C(10)H(9)N(3)O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, inter­molecular C—H⋯O and C—H⋯N hydrogen bonds link the mol­ecules. There are C—H⋯π contacts between the 1,2,4-triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak π–π contact between the 1,2,4-triazole and phenyl rings [centroid-to-centroid distance = 4.547 (1) Å].
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spelling pubmed-29622162010-12-30 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone Özel Güven, Özden Tahtacı, Hakan Coles, Simon J. Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(10)H(9)N(3)O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, inter­molecular C—H⋯O and C—H⋯N hydrogen bonds link the mol­ecules. There are C—H⋯π contacts between the 1,2,4-triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak π–π contact between the 1,2,4-triazole and phenyl rings [centroid-to-centroid distance = 4.547 (1) Å]. International Union of Crystallography 2008-07-26 /pmc/articles/PMC2962216/ /pubmed/21203297 http://dx.doi.org/10.1107/S1600536808023258 Text en © Özel Güven et al. 2008 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
Özel Güven, Özden
Tahtacı, Hakan
Coles, Simon J.
Hökelek, Tuncer
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title_full 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title_fullStr 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title_full_unstemmed 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title_short 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
title_sort 1-phenyl-2-(1h-1,2,4-triazol-1-yl)ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962216/
https://www.ncbi.nlm.nih.gov/pubmed/21203297
http://dx.doi.org/10.1107/S1600536808023258
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AT tahtacıhakan 1phenyl21h124triazol1ylethanone
AT colessimonj 1phenyl21h124triazol1ylethanone
AT hokelektuncer 1phenyl21h124triazol1ylethanone

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