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Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast

In the title hydrated salt, C(4)H(12)NO(3) (+)·C(22)H(25)O(4) (−)·H(2)O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth­yl)propane-1,3-diol] to form a monohydrated sal...

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Autor principal: Lou, Benyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257156/
https://www.ncbi.nlm.nih.gov/pubmed/25484659
http://dx.doi.org/10.1107/S1600536814020625
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author Lou, Benyong
author_facet Lou, Benyong
author_sort Lou, Benyong
collection PubMed
description In the title hydrated salt, C(4)H(12)NO(3) (+)·C(22)H(25)O(4) (−)·H(2)O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth­yl)propane-1,3-diol] to form a monohydrated salt form of seratrodast. The carb­oxy­lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked to the water mol­ecules and to each other by N—H⋯O and O—H⋯O hydrogen bonds forming sheets parallel to (100). The seratrodast anions are linked to both sides of these sheets by O—H⋯O and C—H⋯O hydrogen bonds, forming a three-layer two-dimensional structure. After forming the title salt, the solubility of seratrodast was found to be greatly improved.
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spelling pubmed-42571562014-12-05 Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast Lou, Benyong Acta Crystallogr Sect E Struct Rep Online Research Communications In the title hydrated salt, C(4)H(12)NO(3) (+)·C(22)H(25)O(4) (−)·H(2)O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth­yl)propane-1,3-diol] to form a monohydrated salt form of seratrodast. The carb­oxy­lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked to the water mol­ecules and to each other by N—H⋯O and O—H⋯O hydrogen bonds forming sheets parallel to (100). The seratrodast anions are linked to both sides of these sheets by O—H⋯O and C—H⋯O hydrogen bonds, forming a three-layer two-dimensional structure. After forming the title salt, the solubility of seratrodast was found to be greatly improved. International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257156/ /pubmed/25484659 http://dx.doi.org/10.1107/S1600536814020625 Text en © Benyong Lou 2014 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 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title_full Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title_fullStr Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title_full_unstemmed Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title_short Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
title_sort crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257156/
https://www.ncbi.nlm.nih.gov/pubmed/25484659
http://dx.doi.org/10.1107/S1600536814020625
work_keys_str_mv AT loubenyong crystalstructureof7phenyl7245trimethyl36dioxocyclohexa14dien1ylheptanoate13dihydroxy2hydroxymethylpropan2aminiummonohydrateanewsolidformofseratrodast