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Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen

In the title organic salt of ibuprofen with trometamol, C(4)H(12)NO(3) (+)·C(13)H(17)O(2) (−), the carb­oxy­lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N—H⋯O hydrogen bonds, forming chains along [001]...

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Autor principal: Lou, Benyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571357/
https://www.ncbi.nlm.nih.gov/pubmed/26396756
http://dx.doi.org/10.1107/S2056989015012979
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author Lou, Benyong
author_facet Lou, Benyong
author_sort Lou, Benyong
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description In the title organic salt of ibuprofen with trometamol, C(4)H(12)NO(3) (+)·C(13)H(17)O(2) (−), the carb­oxy­lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N—H⋯O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anions via O—H⋯O and N—H⋯O hydrogen bonds. The chains are linked via further N—H⋯O and O—H⋯O hydrogen bonds, forming sheets parallel to (100). Two C atoms of the propano­ate substituent in the ibuprofen anion are disordered over two sets of sites and were refined with a fixed occupancy ratio of 0.7:0.3.
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spelling pubmed-45713572015-09-22 Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen Lou, Benyong Acta Crystallogr E Crystallogr Commun Research Communications In the title organic salt of ibuprofen with trometamol, C(4)H(12)NO(3) (+)·C(13)H(17)O(2) (−), the carb­oxy­lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N—H⋯O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anions via O—H⋯O and N—H⋯O hydrogen bonds. The chains are linked via further N—H⋯O and O—H⋯O hydrogen bonds, forming sheets parallel to (100). Two C atoms of the propano­ate substituent in the ibuprofen anion are disordered over two sets of sites and were refined with a fixed occupancy ratio of 0.7:0.3. International Union of Crystallography 2015-07-11 /pmc/articles/PMC4571357/ /pubmed/26396756 http://dx.doi.org/10.1107/S2056989015012979 Text en © Benyong Lou 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Lou, Benyong
Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title_full Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title_fullStr Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title_full_unstemmed Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title_short Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
title_sort crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571357/
https://www.ncbi.nlm.nih.gov/pubmed/26396756
http://dx.doi.org/10.1107/S2056989015012979
work_keys_str_mv AT loubenyong crystalstructureof13dihydroxy2hydroxymethylpropan2aminium24isobutylphenylpropanoateasimpleorganicsaltofracemicibuprofen