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The crystal structures of benzyl-ammonium phenyl-acetate and its hydrate.

ABSTRACT: The title compounds benzyl-ammonium phenyl-acetate, C₇H₁₀N⁺·C₈H₇O₂ ^- (1), and its monohydrate, C₇H₁₀N⁺·C₈H₇O₂ ^-·H₂O (2), can be obtained by evaporating methano-lic solutions containing equimolar amounts of benzyl-amine and phenyl-acetic 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 hydro-philic 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 carboxyl-ate 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 hydro-phobic layers in the crystal structures with the aromatic rings adopting edge-to-face arrangements.

SUBMITTER: Hess D

PROVIDER: S-EPMC6362638 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature

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The crystal structures of benzyl-ammonium phenyl-acetate and its hydrate.

Hess David D Mayer Peter P

Acta crystallographica. Section E, Crystallographic communications 20190111 Pt 2

The title compounds benzyl-ammonium phenyl-acetate, C7H10N+·C8H7O2 - (1), and its monohydrate, C7H10N+·C8H7O2 -·H2O (2), can be obtained by evaporating methano-lic solutions containing equimolar amounts of benzyl-amine and phenyl-acetic acid in the absence and presence of water, respectively. N-H⋯O hydrogen bonds in the ...[more]

PMID: 30800450

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