3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate

In the cation of the title salt, C(4)H(8)NO(+)·C(24)H(20)B(−), the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within...

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Autores principales: Tiritiris, Ioannis, Saur, Stefan, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998392/
https://www.ncbi.nlm.nih.gov/pubmed/24765023
http://dx.doi.org/10.1107/S1600536814003456
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author Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
author_facet Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
author_sort Tiritiris, Ioannis
collection PubMed
description In the cation of the title salt, C(4)H(8)NO(+)·C(24)H(20)B(−), the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C—H⋯π inter­action is present between the methyl­ene H atom of the cation and one phenyl ring of the tetra­phenyl­borate ion. The latter forms an aromatic pocket in which the cation is embedded.
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spelling pubmed-39983922014-04-24 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate Tiritiris, Ioannis Saur, Stefan Kantlehner, Willi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt, C(4)H(8)NO(+)·C(24)H(20)B(−), the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C—H⋯π inter­action is present between the methyl­ene H atom of the cation and one phenyl ring of the tetra­phenyl­borate ion. The latter forms an aromatic pocket in which the cation is embedded. International Union of Crystallography 2014-02-22 /pmc/articles/PMC3998392/ /pubmed/24765023 http://dx.doi.org/10.1107/S1600536814003456 Text en © Tiritiris et al. 2014 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
Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title_full 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title_fullStr 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title_full_unstemmed 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title_short 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
title_sort 3-methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998392/
https://www.ncbi.nlm.nih.gov/pubmed/24765023
http://dx.doi.org/10.1107/S1600536814003456
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AT kantlehnerwilli 3methyl45dihydrooxazoliumtetraphenylborate

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