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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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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 |
Sumario: | 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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