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The crystal structures of benzyl­ammonium phenyl­acetate and its hydrate

机译:苯基­乙酸苄基铵盐的晶体结构及其水合物

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摘要

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 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.
机译:标题化合物苯乙酸苄基铵C7H10N + ·C8H7O2 -(> 1 )及其一水合物C7H10N + · C8H7O2 -·H2O(> 2 )可以通过在无水和有水的情况下分别蒸发含有等摩尔量的苄胺和苯乙酸的甲醇溶液来获得。 > 1 的晶体结构中的N-H⋯O氢键导致沿b轴方向延伸的亲水通道的形成。氢键体系最好用稠合的R 3 4(10)环图来描述,通常在羧酸铵盐中观察到。在> 2 中,结晶水的存在导致二维氢键网络的形成。 > 1 和> 2 中的苄基部分在晶体结构中形成疏水层,而芳环采用边对面排列。

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