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Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane
The title compound [systematic name: 4-(dimethylamino)pyridine–4-methoxyphenylborane (1/1)], C(14)H(19)BN(2)O, contains two independent molecules in the asymmetric unit. Both molecules exhibit coplanar, mostly sp (2)-hybridized methoxy and dimethylamino substituents on their respective aro...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683505/ https://www.ncbi.nlm.nih.gov/pubmed/29152365 http://dx.doi.org/10.1107/S2056989017015171 |
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author | Shooter, Jesse Allen, Caleb J. Tinsley, Colby W. K. Zakharov, Lev N. Abbey, Eric R. |
author_facet | Shooter, Jesse Allen, Caleb J. Tinsley, Colby W. K. Zakharov, Lev N. Abbey, Eric R. |
author_sort | Shooter, Jesse |
collection | PubMed |
description | The title compound [systematic name: 4-(dimethylamino)pyridine–4-methoxyphenylborane (1/1)], C(14)H(19)BN(2)O, contains two independent molecules in the asymmetric unit. Both molecules exhibit coplanar, mostly sp (2)-hybridized methoxy and dimethylamino substituents on their respective aromatic rings, consistent with π-donation into the aromatic systems. The B—H groups exhibit an intramolecular close contact with a C—H group of the pyridine ring, which may be evidence of electrostatic attraction between the hydridic B—H and the electropositive aromatic C—H. There appears to be weak C—H⋯π(arene) interactions between two of the H atoms of an aminomethyl group and the methoxy-substituted benzene ring of the other independent molecule, and another C—H⋯π (arene) interaction between one of the pyridine ring H atoms and the same benzene ring. |
format | Online Article Text |
id | pubmed-5683505 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-56835052017-11-17 Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane Shooter, Jesse Allen, Caleb J. Tinsley, Colby W. K. Zakharov, Lev N. Abbey, Eric R. Acta Crystallogr E Crystallogr Commun Research Communications The title compound [systematic name: 4-(dimethylamino)pyridine–4-methoxyphenylborane (1/1)], C(14)H(19)BN(2)O, contains two independent molecules in the asymmetric unit. Both molecules exhibit coplanar, mostly sp (2)-hybridized methoxy and dimethylamino substituents on their respective aromatic rings, consistent with π-donation into the aromatic systems. The B—H groups exhibit an intramolecular close contact with a C—H group of the pyridine ring, which may be evidence of electrostatic attraction between the hydridic B—H and the electropositive aromatic C—H. There appears to be weak C—H⋯π(arene) interactions between two of the H atoms of an aminomethyl group and the methoxy-substituted benzene ring of the other independent molecule, and another C—H⋯π (arene) interaction between one of the pyridine ring H atoms and the same benzene ring. International Union of Crystallography 2017-10-20 /pmc/articles/PMC5683505/ /pubmed/29152365 http://dx.doi.org/10.1107/S2056989017015171 Text en © Shooter 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 Shooter, Jesse Allen, Caleb J. Tinsley, Colby W. K. Zakharov, Lev N. Abbey, Eric R. Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title | Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title_full | Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title_fullStr | Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title_full_unstemmed | Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title_short | Crystal structure and Hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
title_sort | crystal structure and hirshfield analysis of the 4-(dimethylamino)pyridine adduct of 4-methoxyphenylborane |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683505/ https://www.ncbi.nlm.nih.gov/pubmed/29152365 http://dx.doi.org/10.1107/S2056989017015171 |
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