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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 Owater-H?O and N-H?Owater hydrogen bonds. There are also C-H?O and C-H?? inter-actions present within the layers.

SUBMITTER: Fujii I 

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

REPOSITORIES: biostudies-literature

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

Fujii Isao I  

Acta crystallographica. Section E, Crystallographic communications 20171103 Pt 12

The title diastereomeric salt, formed between 2-amino-1,2-di-phenyl-ethanol (ADE) and aspartic acid (ASP), C<sub>14</sub>H<sub>16</sub>NO<sup>+</sup>·C<sub>4</sub>H<sub>6</sub>NO<sub>4</sub><sup>-</sup>·H<sub>2</sub>O, crystallizes as a monohydrate. The 1,2-di-phenyl-ethyl group in the cation has a <i>cis</i> conformation, and the aspartic acid anion is in the zwitterionic form. In the crystal, the ASP anions are linked <i>via</i> N-H⋯O hydrogen bonds to form a 2<sub>1</sub> helix along the <i>b  ...[more]

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