1-(Benzotriazol-1-yl)-2-bromoethanone

In the title compound C(8)H(6)BrN(3)O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo­acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C—H⋯O hydrogen bondings result in the formation of inversion dimers,...

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Detalles Bibliográficos
Autores principales: Asiri, Abdullah M., Abo-Dya, Nader E., Arshad, Muhammad Nadeem, Shafiq, Muhammad
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/PMC3515272/
https://www.ncbi.nlm.nih.gov/pubmed/23284492
http://dx.doi.org/10.1107/S1600536812042900
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author Asiri, Abdullah M.
Abo-Dya, Nader E.
Arshad, Muhammad Nadeem
Shafiq, Muhammad
author_facet Asiri, Abdullah M.
Abo-Dya, Nader E.
Arshad, Muhammad Nadeem
Shafiq, Muhammad
author_sort Asiri, Abdullah M.
collection PubMed
description In the title compound C(8)H(6)BrN(3)O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo­acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C—H⋯O hydrogen bondings result in the formation of inversion dimers, forming R (2) (2)(12) rings, which are connected by further C—H⋯O inter­actions into chains extending along the b-axis direction.
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spelling pubmed-35152722013-01-02 1-(Benzotriazol-1-yl)-2-bromoethanone Asiri, Abdullah M. Abo-Dya, Nader E. Arshad, Muhammad Nadeem Shafiq, Muhammad Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound C(8)H(6)BrN(3)O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo­acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C—H⋯O hydrogen bondings result in the formation of inversion dimers, forming R (2) (2)(12) rings, which are connected by further C—H⋯O inter­actions into chains extending along the b-axis direction. International Union of Crystallography 2012-10-20 /pmc/articles/PMC3515272/ /pubmed/23284492 http://dx.doi.org/10.1107/S1600536812042900 Text en © Asiri 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
Asiri, Abdullah M.
Abo-Dya, Nader E.
Arshad, Muhammad Nadeem
Shafiq, Muhammad
1-(Benzotriazol-1-yl)-2-bromoethanone
title 1-(Benzotriazol-1-yl)-2-bromoethanone
title_full 1-(Benzotriazol-1-yl)-2-bromoethanone
title_fullStr 1-(Benzotriazol-1-yl)-2-bromoethanone
title_full_unstemmed 1-(Benzotriazol-1-yl)-2-bromoethanone
title_short 1-(Benzotriazol-1-yl)-2-bromoethanone
title_sort 1-(benzotriazol-1-yl)-2-bromoethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515272/
https://www.ncbi.nlm.nih.gov/pubmed/23284492
http://dx.doi.org/10.1107/S1600536812042900
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