5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole

In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro­genic substrates for the Cu-catalysed azide–alkyne cyclo­addition (CuAAC) reaction, the benzoxa­diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92 (7)°] than either...

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Detalles Bibliográficos
Autores principales: Key, Jessie A., Cairo, Christopher W., McDonald, Robert
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/PMC3515234/
https://www.ncbi.nlm.nih.gov/pubmed/23284454
http://dx.doi.org/10.1107/S1600536812041827
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author Key, Jessie A.
Cairo, Christopher W.
McDonald, Robert
author_facet Key, Jessie A.
Cairo, Christopher W.
McDonald, Robert
author_sort Key, Jessie A.
collection PubMed
description In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro­genic substrates for the Cu-catalysed azide–alkyne cyclo­addition (CuAAC) reaction, the benzoxa­diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92 (7)°] than either is to the benzyl group [dihedral angles = 69.13 (3)° and 78.20 (4)°, respectively]. The crystal structure features two different sets of weak inter­molecular C—H⋯N inter­actions between adjacent benzoxadiazole and triazole rings, forming a chain that propagates in the [-110] direction parallel to the ab plane.
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spelling pubmed-35152342013-01-02 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole Key, Jessie A. Cairo, Christopher W. McDonald, Robert Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro­genic substrates for the Cu-catalysed azide–alkyne cyclo­addition (CuAAC) reaction, the benzoxa­diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92 (7)°] than either is to the benzyl group [dihedral angles = 69.13 (3)° and 78.20 (4)°, respectively]. The crystal structure features two different sets of weak inter­molecular C—H⋯N inter­actions between adjacent benzoxadiazole and triazole rings, forming a chain that propagates in the [-110] direction parallel to the ab plane. International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515234/ /pubmed/23284454 http://dx.doi.org/10.1107/S1600536812041827 Text en © Key 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
Key, Jessie A.
Cairo, Christopher W.
McDonald, Robert
5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title_full 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title_fullStr 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title_full_unstemmed 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title_short 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
title_sort 5-(1-benzyl-1h-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515234/
https://www.ncbi.nlm.nih.gov/pubmed/23284454
http://dx.doi.org/10.1107/S1600536812041827
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