The crystal structures of benzylammonium phenylacetate and its hydrate
The title compounds benzylammonium phenylacetate, C7H10N+·C8H7O2− (1), and its monohydrate, C7H10N+·C8H7O2−·H2O (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 hydro...
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doaj-32b09a3b20c54655861f9f4b5faa180a2020-11-25T00:57:58ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902019-02-0175219420110.1107/S2056989019000288vm2215The crystal structures of benzylammonium phenylacetate and its hydrateDavid Hess0Peter Mayer1Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble, FranceLudwig-Maximilians-Universität, Department Chemie, Butenandtstrasse, 5–13, 81377 München, GermanyThe title compounds benzylammonium phenylacetate, C7H10N+·C8H7O2− (1), and its monohydrate, C7H10N+·C8H7O2−·H2O (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 R34(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.http://scripts.iucr.org/cgi-bin/paper?S2056989019000288crystal structurehydrogen bondingHirshfeld analysisintermolecular interactionsammonium carboxylate salts |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
David Hess Peter Mayer |
spellingShingle |
David Hess Peter Mayer The crystal structures of benzylammonium phenylacetate and its hydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure hydrogen bonding Hirshfeld analysis intermolecular interactions ammonium carboxylate salts |
author_facet |
David Hess Peter Mayer |
author_sort |
David Hess |
title |
The crystal structures of benzylammonium phenylacetate and its hydrate |
title_short |
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_sort |
crystal structures of benzylammonium phenylacetate and its hydrate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E: Crystallographic Communications |
issn |
2056-9890 |
publishDate |
2019-02-01 |
description |
The title compounds benzylammonium phenylacetate, C7H10N+·C8H7O2− (1), and its monohydrate, C7H10N+·C8H7O2−·H2O (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 R34(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. |
topic |
crystal structure hydrogen bonding Hirshfeld analysis intermolecular interactions ammonium carboxylate salts |
url |
http://scripts.iucr.org/cgi-bin/paper?S2056989019000288 |
work_keys_str_mv |
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