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The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate

The title compounds benzyl­ammonium phenyl­acetate, C(7)H(10)N(+)·C(8)H(7)O(2) (−) (1), and its monohydrate, C(7)H(10)N(+)·C(8)H(7)O(2) (−)·H(2)O (2), can be obtained by evaporating methano­lic solutions containing equimolar amounts of benzyl­amine and phenyl­acetic acid in the absence and presence...

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Autores principales: Hess, David, Mayer, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362638/
https://www.ncbi.nlm.nih.gov/pubmed/30800450
http://dx.doi.org/10.1107/S2056989019000288
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author Hess, David
Mayer, Peter
author_facet Hess, David
Mayer, Peter
author_sort Hess, David
collection PubMed
description The title compounds benzyl­ammonium phenyl­acetate, C(7)H(10)N(+)·C(8)H(7)O(2) (−) (1), and its monohydrate, C(7)H(10)N(+)·C(8)H(7)O(2) (−)·H(2)O (2), can be obtained by evaporating methano­lic solutions containing equimolar amounts of benzyl­amine and phenyl­acetic acid in the absence and presence of water, respectively. N—H⋯O hydrogen bonds in the crystal structure of 1 lead to the formation of hydro­philic channels running along the b-axis direction. The hydrogen-bonding system is best described by fused R (3) (4)(10) ring patterns, often observed in ammonium carboxyl­ate salts. In 2, the presence of the crystal water leads to the formation of a two-dimensional hydrogen-bonding network. The benzyl moieties in 1 and 2 form hydro­phobic layers in the crystal structures with the aromatic rings adopting edge-to-face arrangements.
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spelling pubmed-63626382019-02-22 The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate Hess, David Mayer, Peter Acta Crystallogr E Crystallogr Commun Research Communications The title compounds benzyl­ammonium phenyl­acetate, C(7)H(10)N(+)·C(8)H(7)O(2) (−) (1), and its monohydrate, C(7)H(10)N(+)·C(8)H(7)O(2) (−)·H(2)O (2), can be obtained by evaporating methano­lic solutions containing equimolar amounts of benzyl­amine and phenyl­acetic acid in the absence and presence of water, respectively. N—H⋯O hydrogen bonds in the crystal structure of 1 lead to the formation of hydro­philic channels running along the b-axis direction. The hydrogen-bonding system is best described by fused R (3) (4)(10) ring patterns, often observed in ammonium carboxyl­ate salts. In 2, the presence of the crystal water leads to the formation of a two-dimensional hydrogen-bonding network. The benzyl moieties in 1 and 2 form hydro­phobic layers in the crystal structures with the aromatic rings adopting edge-to-face arrangements. International Union of Crystallography 2019-01-11 /pmc/articles/PMC6362638/ /pubmed/30800450 http://dx.doi.org/10.1107/S2056989019000288 Text en © Hess and Mayer 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Hess, David
Mayer, Peter
The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title_full The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title_fullStr The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title_full_unstemmed The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title_short The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
title_sort crystal structures of benzyl­ammonium phenyl­acetate and its hydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362638/
https://www.ncbi.nlm.nih.gov/pubmed/30800450
http://dx.doi.org/10.1107/S2056989019000288
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