Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1783392959890194432 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6362638 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT hessdavid thecrystalstructuresofbenzylammoniumphenylacetateanditshydrate AT mayerpeter thecrystalstructuresofbenzylammoniumphenylacetateanditshydrate AT hessdavid crystalstructuresofbenzylammoniumphenylacetateanditshydrate AT mayerpeter crystalstructuresofbenzylammoniumphenylacetateanditshydrate |