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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...

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Autores principales: Shooter, Jesse, Allen, Caleb J., Tinsley, Colby W. K., Zakharov, Lev N., Abbey, Eric R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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