Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure

In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta­oxadocosan-22-yl)­oxy]-3,14-dihy­droxy-17-(prop-2-en-1-yl)-4,5-ep­oxy­morphinan-17-ium hydrogen oxalate, C(34)H(54)NO(11) (+)·C(2)HO(4) (−) the polyether unit of the naloxegol cation adopts the shape of a squashed open letter ‘O’. In the crystal, the h...

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Autores principales: Gelbrich, Thomas, Langes, Christoph, Stefinovic, Marijan, Griesser, Ulrich J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946971/
https://www.ncbi.nlm.nih.gov/pubmed/29765749
http://dx.doi.org/10.1107/S2056989018003675
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author Gelbrich, Thomas
Langes, Christoph
Stefinovic, Marijan
Griesser, Ulrich J.
author_facet Gelbrich, Thomas
Langes, Christoph
Stefinovic, Marijan
Griesser, Ulrich J.
author_sort Gelbrich, Thomas
collection PubMed
description In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta­oxadocosan-22-yl)­oxy]-3,14-dihy­droxy-17-(prop-2-en-1-yl)-4,5-ep­oxy­morphinan-17-ium hydrogen oxalate, C(34)H(54)NO(11) (+)·C(2)HO(4) (−) the polyether unit of the naloxegol cation adopts the shape of a squashed open letter ‘O’. In the crystal, the hydrogen oxalate anions are linked into a chain by O—H⋯O hydrogen bonds. Each naloxegol unit is hydrogen bonded to three hydrogen oxalate ions via two O—H⋯O and one N—H⋯O inter­actions. The resulting hydrogen-bonded two-dimensional layer structure is 3,5-connected and has the 3,5 L50 topology.
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spelling pubmed-59469712018-05-15 Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure Gelbrich, Thomas Langes, Christoph Stefinovic, Marijan Griesser, Ulrich J. Acta Crystallogr E Crystallogr Commun Research Communications In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta­oxadocosan-22-yl)­oxy]-3,14-dihy­droxy-17-(prop-2-en-1-yl)-4,5-ep­oxy­morphinan-17-ium hydrogen oxalate, C(34)H(54)NO(11) (+)·C(2)HO(4) (−) the polyether unit of the naloxegol cation adopts the shape of a squashed open letter ‘O’. In the crystal, the hydrogen oxalate anions are linked into a chain by O—H⋯O hydrogen bonds. Each naloxegol unit is hydrogen bonded to three hydrogen oxalate ions via two O—H⋯O and one N—H⋯O inter­actions. The resulting hydrogen-bonded two-dimensional layer structure is 3,5-connected and has the 3,5 L50 topology. International Union of Crystallography 2018-03-09 /pmc/articles/PMC5946971/ /pubmed/29765749 http://dx.doi.org/10.1107/S2056989018003675 Text en © Gelbrich et al. 2018 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
Gelbrich, Thomas
Langes, Christoph
Stefinovic, Marijan
Griesser, Ulrich J.
Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title_full Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title_fullStr Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title_full_unstemmed Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title_short Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
title_sort naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946971/
https://www.ncbi.nlm.nih.gov/pubmed/29765749
http://dx.doi.org/10.1107/S2056989018003675
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AT stefinovicmarijan naloxegolhydrogenoxalatedisplayingahydrogenbondedlayerstructure
AT griesserulrichj naloxegolhydrogenoxalatedisplayingahydrogenbondedlayerstructure

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