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4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate

The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra­methyl-1,8-dioxoxanthenyl and one 4a-hy­droxy-3,3,6,6-tetra­methyl-1,8-dioxodeca­hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-me...

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Autores principales: Mohamed, Shaaban K., Abdelhamid, Antar A., Khalilov, Ali N., Gurbanov, Atash V., Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099750/
https://www.ncbi.nlm.nih.gov/pubmed/21754132
http://dx.doi.org/10.1107/S1600536811008658
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author Mohamed, Shaaban K.
Abdelhamid, Antar A.
Khalilov, Ali N.
Gurbanov, Atash V.
Ng, Seik Weng
author_facet Mohamed, Shaaban K.
Abdelhamid, Antar A.
Khalilov, Ali N.
Gurbanov, Atash V.
Ng, Seik Weng
author_sort Mohamed, Shaaban K.
collection PubMed
description The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra­methyl-1,8-dioxoxanthenyl and one 4a-hy­droxy-3,3,6,6-tetra­methyl-1,8-dioxodeca­hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the flap) while in the latter, the six-membered xanthenyl ring adopts a twisted envelope conformation (with the C atom bearing the hy­droxy group representing the flap). The hy­droxy H atom forms an intra­molecular hydrogen bond to the pyridyl N atom. An ethanol solvent mol­ecule is disordered with respect to a water mol­ecule in a 1:1 ratio. The water mol­ecule itself is disordered over two positions of equal occupancy.
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spelling pubmed-30997502011-07-13 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate Mohamed, Shaaban K. Abdelhamid, Antar A. Khalilov, Ali N. Gurbanov, Atash V. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra­methyl-1,8-dioxoxanthenyl and one 4a-hy­droxy-3,3,6,6-tetra­methyl-1,8-dioxodeca­hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the flap) while in the latter, the six-membered xanthenyl ring adopts a twisted envelope conformation (with the C atom bearing the hy­droxy group representing the flap). The hy­droxy H atom forms an intra­molecular hydrogen bond to the pyridyl N atom. An ethanol solvent mol­ecule is disordered with respect to a water mol­ecule in a 1:1 ratio. The water mol­ecule itself is disordered over two positions of equal occupancy. International Union of Crystallography 2011-03-12 /pmc/articles/PMC3099750/ /pubmed/21754132 http://dx.doi.org/10.1107/S1600536811008658 Text en © Mohamed et al. 2011 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
Mohamed, Shaaban K.
Abdelhamid, Antar A.
Khalilov, Ali N.
Gurbanov, Atash V.
Ng, Seik Weng
4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title_full 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title_fullStr 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title_full_unstemmed 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title_short 4a-Hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
title_sort 4a-hy­droxy-3,3,6,6-tetra­methyl-9-[6-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1h-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca­hydro-1h-xanthene-1,8-dione ethanol hemisolvate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099750/
https://www.ncbi.nlm.nih.gov/pubmed/21754132
http://dx.doi.org/10.1107/S1600536811008658
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