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Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate

In the structure of the title compound, C(30)H(40)O(6)S, the cyclo­hexene and heterocyclic rings are linked by a double bond. The cyclo­hexene ring has a half-chair conformation (the methyl­ene group adjacent to the hy­droxy substituent lies above the remaining atoms) and the hy­droxy and eth­oxy gr...

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Autores principales: Gul, Waseem, Galal, Ahmed, ElSohly, Mahmoud A., Carvalho, Paulo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719990/
https://www.ncbi.nlm.nih.gov/pubmed/26870509
http://dx.doi.org/10.1107/S2056989015024044
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author Gul, Waseem
Galal, Ahmed
ElSohly, Mahmoud A.
Carvalho, Paulo
author_facet Gul, Waseem
Galal, Ahmed
ElSohly, Mahmoud A.
Carvalho, Paulo
author_sort Gul, Waseem
collection PubMed
description In the structure of the title compound, C(30)H(40)O(6)S, the cyclo­hexene and heterocyclic rings are linked by a double bond. The cyclo­hexene ring has a half-chair conformation (the methyl­ene group adjacent to the hy­droxy substituent lies above the remaining atoms) and the hy­droxy and eth­oxy groups have equatorial and bis­ectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe(2) C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)°. A long intra­molecular C—H⋯S inter­action is noted. In the mol­ecular packing, hy­droxy-O—H⋯O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C—H⋯O(sulfonate) and lead to supra­molecular layers that lie parallel to (001). The studied crystal was an inversion twin.
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spelling pubmed-47199902016-02-11 Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate Gul, Waseem Galal, Ahmed ElSohly, Mahmoud A. Carvalho, Paulo Acta Crystallogr E Crystallogr Commun Data Reports In the structure of the title compound, C(30)H(40)O(6)S, the cyclo­hexene and heterocyclic rings are linked by a double bond. The cyclo­hexene ring has a half-chair conformation (the methyl­ene group adjacent to the hy­droxy substituent lies above the remaining atoms) and the hy­droxy and eth­oxy groups have equatorial and bis­ectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe(2) C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)°. A long intra­molecular C—H⋯S inter­action is noted. In the mol­ecular packing, hy­droxy-O—H⋯O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C—H⋯O(sulfonate) and lead to supra­molecular layers that lie parallel to (001). The studied crystal was an inversion twin. International Union of Crystallography 2015-12-24 /pmc/articles/PMC4719990/ /pubmed/26870509 http://dx.doi.org/10.1107/S2056989015024044 Text en © Gul et al. 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 Data Reports
Gul, Waseem
Galal, Ahmed
ElSohly, Mahmoud A.
Carvalho, Paulo
Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title_full Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title_fullStr Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title_full_unstemmed Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title_short Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
title_sort crystal structure of (9s,10s)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6h-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719990/
https://www.ncbi.nlm.nih.gov/pubmed/26870509
http://dx.doi.org/10.1107/S2056989015024044
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