2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole

The title compound, C(14)H(10)N(2)O(3), is a π-conjugated mol­ecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Å. The mol­ecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52 (12) a...

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Detalles Bibliográficos
Autores principales: Centore, Roberto, Piccialli, Vincenzo, Tuzi, Angela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647863/
https://www.ncbi.nlm.nih.gov/pubmed/23723829
http://dx.doi.org/10.1107/S1600536813008970
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author Centore, Roberto
Piccialli, Vincenzo
Tuzi, Angela
author_facet Centore, Roberto
Piccialli, Vincenzo
Tuzi, Angela
author_sort Centore, Roberto
collection PubMed
description The title compound, C(14)H(10)N(2)O(3), is a π-conjugated mol­ecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Å. The mol­ecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52 (12) and 7.4 (3)° with the benzene ring and the nitro group, respectively. In the crystal, mol­ecules are connected by very weak C—H⋯O hydrogen inter­actions, forming chains running parallel to the a or c axes. The methyl H atoms are disordered over two sets of sites of equal occupancy rotated by 60°.
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spelling pubmed-36478632013-05-30 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole Centore, Roberto Piccialli, Vincenzo Tuzi, Angela Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(10)N(2)O(3), is a π-conjugated mol­ecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Å. The mol­ecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52 (12) and 7.4 (3)° with the benzene ring and the nitro group, respectively. In the crystal, mol­ecules are connected by very weak C—H⋯O hydrogen inter­actions, forming chains running parallel to the a or c axes. The methyl H atoms are disordered over two sets of sites of equal occupancy rotated by 60°. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647863/ /pubmed/23723829 http://dx.doi.org/10.1107/S1600536813008970 Text en © Centore et al. 2013 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
Centore, Roberto
Piccialli, Vincenzo
Tuzi, Angela
2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title_full 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title_fullStr 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title_full_unstemmed 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title_short 2-(4-Methyl­phen­yl)-6-nitro-1,3-benzoxazole
title_sort 2-(4-methyl­phen­yl)-6-nitro-1,3-benzoxazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647863/
https://www.ncbi.nlm.nih.gov/pubmed/23723829
http://dx.doi.org/10.1107/S1600536813008970
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AT picciallivincenzo 24methylphenyl6nitro13benzoxazole
AT tuziangela 24methylphenyl6nitro13benzoxazole

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