Crystal structure of (1S,2R)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (S)-2-aza-niumyl-butane-dioate monohydrate.

ABSTRACT: The title diastereomeric salt, formed between 2-amino-1,2-di-phenyl-ethanol (ADE) and aspartic acid (ASP), C₁₄H₁₆NO⁺·C₄H₆NO₄^-·H₂O, crystallizes as a monohydrate. The 1,2-di-phenyl-ethyl group in the cation has a cis conformation, and the aspartic acid anion is in the zwitterionic form. In the crystal, the ASP anions are linked via N-H⋯O hydrogen bonds to form a 2₁ helix along the b-axis direction. The helices are linked by the ADE cations via O-H⋯O and N-H⋯O hydrogen bonds, forming layers parallel to the bc plane. There are channels in the layers that are occupied by water mol-ecules, which link to both the anions and cations via O_water-H⋯O

SUBMITTER: Fujii I 

PROVIDER: S-EPMC5730233 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature