Crystal structures of two polymorphs of tixocortol pivalate

Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy­droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca­hydro-1H-cyclo­penta­[a]phenanthren-17-yl]-2-oxoeth­yl} 2,2-di­methyl­propane­thio­ate, C(26)H(38)O(5)S, have been identified. They are ortho­rhom­bic, non-centros...

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Autores principales: Rousselin, Yoann, Yolka, Sylvie, Clavel, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340970/
https://www.ncbi.nlm.nih.gov/pubmed/34422306
http://dx.doi.org/10.1107/S2056989021007167
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author Rousselin, Yoann
Yolka, Sylvie
Clavel, Alexandre
author_facet Rousselin, Yoann
Yolka, Sylvie
Clavel, Alexandre
author_sort Rousselin, Yoann
collection PubMed
description Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy­droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca­hydro-1H-cyclo­penta­[a]phenanthren-17-yl]-2-oxoeth­yl} 2,2-di­methyl­propane­thio­ate, C(26)H(38)O(5)S, have been identified. They are ortho­rhom­bic, non-centrosymmetric (P2(1)2(1)2(1)). The structures display layers of mol­ecules conected via O—H⋯O hydrogen bonds along the b-axis direction in polymorph (I) and along the c-axis direction in polymorph (II). The structure of (II) exhibits disorder of the main mol­ecule.
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spelling pubmed-83409702021-08-19 Crystal structures of two polymorphs of tixocortol pivalate Rousselin, Yoann Yolka, Sylvie Clavel, Alexandre Acta Crystallogr E Crystallogr Commun Research Communications Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy­droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca­hydro-1H-cyclo­penta­[a]phenanthren-17-yl]-2-oxoeth­yl} 2,2-di­methyl­propane­thio­ate, C(26)H(38)O(5)S, have been identified. They are ortho­rhom­bic, non-centrosymmetric (P2(1)2(1)2(1)). The structures display layers of mol­ecules conected via O—H⋯O hydrogen bonds along the b-axis direction in polymorph (I) and along the c-axis direction in polymorph (II). The structure of (II) exhibits disorder of the main mol­ecule. International Union of Crystallography 2021-07-16 /pmc/articles/PMC8340970/ /pubmed/34422306 http://dx.doi.org/10.1107/S2056989021007167 Text en © Rousselin et al. 2021 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Research Communications
Rousselin, Yoann
Yolka, Sylvie
Clavel, Alexandre
Crystal structures of two polymorphs of tixocortol pivalate
title Crystal structures of two polymorphs of tixocortol pivalate
title_full Crystal structures of two polymorphs of tixocortol pivalate
title_fullStr Crystal structures of two polymorphs of tixocortol pivalate
title_full_unstemmed Crystal structures of two polymorphs of tixocortol pivalate
title_short Crystal structures of two polymorphs of tixocortol pivalate
title_sort crystal structures of two polymorphs of tixocortol pivalate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340970/
https://www.ncbi.nlm.nih.gov/pubmed/34422306
http://dx.doi.org/10.1107/S2056989021007167
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