Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one

The title compound, C(17)H(12)BrN(3)O(2), was unexpectedly isolated during an attempt to synthesize pyridodiazepinediones and identified as an oxazolonaphthyridinone derivative. The almost planar oxazolonaphthyridinone ring (r.m.s. deviation = 0.016 Å) makes a dihedral angle of 61.6 (2)° with the ph...

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Autores principales: Vrijdag, Johannes, Van den Bogaert, An, De Borggraeve, Wim, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418784/
https://www.ncbi.nlm.nih.gov/pubmed/28529776
http://dx.doi.org/10.1107/S2056989017005023
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author Vrijdag, Johannes
Van den Bogaert, An
De Borggraeve, Wim
Van Meervelt, Luc
author_facet Vrijdag, Johannes
Van den Bogaert, An
De Borggraeve, Wim
Van Meervelt, Luc
author_sort Vrijdag, Johannes
collection PubMed
description The title compound, C(17)H(12)BrN(3)O(2), was unexpectedly isolated during an attempt to synthesize pyridodiazepinediones and identified as an oxazolonaphthyridinone derivative. The almost planar oxazolonaphthyridinone ring (r.m.s. deviation = 0.016 Å) makes a dihedral angle of 61.6 (2)° with the phenyl ring. In the crystal, columns of mol­ecules stacked along the a axis are formed by π–π inter­actions between the six-membered rings of the oxazolonaphthyridone moieties [centroid-to-centroid distances = 3.494 (2)–3.906 (3) Å], which further inter­act through C—H⋯π contacts with the phenyl rings.
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spelling pubmed-54187842017-05-19 Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one Vrijdag, Johannes Van den Bogaert, An De Borggraeve, Wim Van Meervelt, Luc Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(17)H(12)BrN(3)O(2), was unexpectedly isolated during an attempt to synthesize pyridodiazepinediones and identified as an oxazolonaphthyridinone derivative. The almost planar oxazolonaphthyridinone ring (r.m.s. deviation = 0.016 Å) makes a dihedral angle of 61.6 (2)° with the phenyl ring. In the crystal, columns of mol­ecules stacked along the a axis are formed by π–π inter­actions between the six-membered rings of the oxazolonaphthyridone moieties [centroid-to-centroid distances = 3.494 (2)–3.906 (3) Å], which further inter­act through C—H⋯π contacts with the phenyl rings. International Union of Crystallography 2017-04-11 /pmc/articles/PMC5418784/ /pubmed/28529776 http://dx.doi.org/10.1107/S2056989017005023 Text en © Vrijdag et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Vrijdag, Johannes
Van den Bogaert, An
De Borggraeve, Wim
Van Meervelt, Luc
Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title_full Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title_fullStr Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title_full_unstemmed Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title_short Crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
title_sort crystal structure of 5-benzyl-8-bromo-2-meth­yl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5h)-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418784/
https://www.ncbi.nlm.nih.gov/pubmed/28529776
http://dx.doi.org/10.1107/S2056989017005023
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