2-Bromo­beclometasone dipropionate

In the crystal structure of 2-bromo­beclometasone dipropionate [systematic name: (8S,9R,10S,11S,13S,14S,16S,17R)-2-bromo-9α-chloro-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate], C(28)H(3...

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Detalles Bibliográficos
Autores principales: Ketuly, Kamal Aziz, A. Hadi, A. Hamid, Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977202/
https://www.ncbi.nlm.nih.gov/pubmed/21583524
http://dx.doi.org/10.1107/S1600536809025987
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author Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
author_facet Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
author_sort Ketuly, Kamal Aziz
collection PubMed
description In the crystal structure of 2-bromo­beclometasone dipropionate [systematic name: (8S,9R,10S,11S,13S,14S,16S,17R)-2-bromo-9α-chloro-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate], C(28)H(36)BrClO(7), the six-membered ring with the 1,4-diene-3-one composition is planar (r.m.s. deviations = 0.03 and 0.04 Å for the two independent mol­ecules), whereas the remaining six-membered rings have chair conformations. Each of the independent mol­ecules self-associates via O—H⋯O(propionate) hydrogen bonding, generating a supra­molecular chain running along the b axis. The crystal is twinned, with the monoclinic unit cell emulating an orthorhomic crystal system; the major twin component constitutes approximately 60%.
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spelling pubmed-29772022010-12-30 2-Bromo­beclometasone dipropionate Ketuly, Kamal Aziz A. Hadi, A. Hamid Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of 2-bromo­beclometasone dipropionate [systematic name: (8S,9R,10S,11S,13S,14S,16S,17R)-2-bromo-9α-chloro-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate], C(28)H(36)BrClO(7), the six-membered ring with the 1,4-diene-3-one composition is planar (r.m.s. deviations = 0.03 and 0.04 Å for the two independent mol­ecules), whereas the remaining six-membered rings have chair conformations. Each of the independent mol­ecules self-associates via O—H⋯O(propionate) hydrogen bonding, generating a supra­molecular chain running along the b axis. The crystal is twinned, with the monoclinic unit cell emulating an orthorhomic crystal system; the major twin component constitutes approximately 60%. International Union of Crystallography 2009-07-11 /pmc/articles/PMC2977202/ /pubmed/21583524 http://dx.doi.org/10.1107/S1600536809025987 Text en © Ketuly et al. 2009 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 Organic Papers
Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
2-Bromo­beclometasone dipropionate
title 2-Bromo­beclometasone dipropionate
title_full 2-Bromo­beclometasone dipropionate
title_fullStr 2-Bromo­beclometasone dipropionate
title_full_unstemmed 2-Bromo­beclometasone dipropionate
title_short 2-Bromo­beclometasone dipropionate
title_sort 2-bromo­beclometasone dipropionate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977202/
https://www.ncbi.nlm.nih.gov/pubmed/21583524
http://dx.doi.org/10.1107/S1600536809025987
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