Crystal structure of (1S,2R)-2-hydroxy-1,2-diphenylethan-1-aminium (S)-2-azaniumylbutanedioate monohydrate

Abstract

The title diastereomeric salt, formed between 2-amino-1,2-diphenylethanol (ADE) and aspartic acid (ASP), C14H16NO+·C4H6NO4−·H2O, crystallizes as a monohydrate. The 1,2-diphenylethyl group in the cation has acisconformation, and the aspartic acid anion is in the zwitterionic form. In the crystal, the ASP anions are linkedviaN—H...O hydrogen bonds to form a 21helix along theb-axis direction. The helices are linked by the ADE cationsviaO—H...O and N—H...O hydrogen bonds, forming layers parallel to thebcplane. There are channels in the layers that are occupied by water molecules, which link to both the anions and cationsviaOwater—H...O and N—H...Owaterhydrogen bonds. There are also C—H...O and C—H...π interactions present within the layers.