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

The title diastereomeric salt, formed between 2-amino-1,2-di­phenyl­ethanol (ADE) and aspartic acid (ASP), C(14)H(16)NO(+)·C(4)H(6)NO(4) (−)·H(2)O, crystallizes as a monohydrate. The 1,2-di­phenyl­ethyl group in the cation has a cis conformation, and the aspartic acid anion is in the zwitterionic fo...

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Autor principal: Fujii, Isao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730233/
https://www.ncbi.nlm.nih.gov/pubmed/29250396
http://dx.doi.org/10.1107/S2056989017015729
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author Fujii, Isao
author_facet Fujii, Isao
author_sort Fujii, Isao
collection PubMed
description The title diastereomeric salt, formed between 2-amino-1,2-di­phenyl­ethanol (ADE) and aspartic acid (ASP), C(14)H(16)NO(+)·C(4)H(6)NO(4) (−)·H(2)O, crystallizes as a monohydrate. The 1,2-di­phenyl­ethyl 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 2(1) 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 mol­ecules, which link to both the anions and cations via O(water)—H⋯O and N—H⋯O(water) hydrogen bonds. There are also C—H⋯O and C—H⋯π inter­actions present within the layers.
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spelling pubmed-57302332017-12-15 Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate Fujii, Isao Acta Crystallogr E Crystallogr Commun Research Communications The title diastereomeric salt, formed between 2-amino-1,2-di­phenyl­ethanol (ADE) and aspartic acid (ASP), C(14)H(16)NO(+)·C(4)H(6)NO(4) (−)·H(2)O, crystallizes as a monohydrate. The 1,2-di­phenyl­ethyl 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 2(1) 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 mol­ecules, which link to both the anions and cations via O(water)—H⋯O and N—H⋯O(water) hydrogen bonds. There are also C—H⋯O and C—H⋯π inter­actions present within the layers. International Union of Crystallography 2017-11-03 /pmc/articles/PMC5730233/ /pubmed/29250396 http://dx.doi.org/10.1107/S2056989017015729 Text en © Isao Fujii 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Fujii, Isao
Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title_full Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title_fullStr Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title_full_unstemmed Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title_short Crystal structure of (1S,2R)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (S)-2-aza­niumyl­butane­dioate monohydrate
title_sort crystal structure of (1s,2r)-2-hy­droxy-1,2-di­phenyl­ethan-1-aminium (s)-2-aza­niumyl­butane­dioate monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730233/
https://www.ncbi.nlm.nih.gov/pubmed/29250396
http://dx.doi.org/10.1107/S2056989017015729
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