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9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione

In the title compound, C(23)H(24)F(2)O(3), the central pyran ring has a flat-boat conformation, whereas the two fused cyclo­hexenone rings adopt envelope conformations, with the C atom bearing the dimethyl substituent being the flap atom in each case. The pyran ring mean plane and the di­fluoro­phen...

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Autores principales: Rizwana Begum, S., Hema, R., Sumathi, G., Valliappan, R., Srinivasan, N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998450/
https://www.ncbi.nlm.nih.gov/pubmed/24764989
http://dx.doi.org/10.1107/S1600536814002761
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author Rizwana Begum, S.
Hema, R.
Sumathi, G.
Valliappan, R.
Srinivasan, N.
author_facet Rizwana Begum, S.
Hema, R.
Sumathi, G.
Valliappan, R.
Srinivasan, N.
author_sort Rizwana Begum, S.
collection PubMed
description In the title compound, C(23)H(24)F(2)O(3), the central pyran ring has a flat-boat conformation, whereas the two fused cyclo­hexenone rings adopt envelope conformations, with the C atom bearing the dimethyl substituent being the flap atom in each case. The pyran ring mean plane and the di­fluoro­phenyl ring are almost normal to each other, making a dihedral angle of 87.55 (4)°. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The F atom at position 2 on the di­fluoro­phenyl ring is disordered over the 2- and 6-positions, and has a refined occupancy ratio of 0.932 (3):0.068 (3).
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spelling pubmed-39984502014-04-24 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione Rizwana Begum, S. Hema, R. Sumathi, G. Valliappan, R. Srinivasan, N. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(24)F(2)O(3), the central pyran ring has a flat-boat conformation, whereas the two fused cyclo­hexenone rings adopt envelope conformations, with the C atom bearing the dimethyl substituent being the flap atom in each case. The pyran ring mean plane and the di­fluoro­phenyl ring are almost normal to each other, making a dihedral angle of 87.55 (4)°. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The F atom at position 2 on the di­fluoro­phenyl ring is disordered over the 2- and 6-positions, and has a refined occupancy ratio of 0.932 (3):0.068 (3). International Union of Crystallography 2014-02-12 /pmc/articles/PMC3998450/ /pubmed/24764989 http://dx.doi.org/10.1107/S1600536814002761 Text en © Rizwana Begum et al. 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 Organic Papers
Rizwana Begum, S.
Hema, R.
Sumathi, G.
Valliappan, R.
Srinivasan, N.
9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title_full 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title_fullStr 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title_full_unstemmed 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title_short 9-(2,4-Di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2H-xanthene-1,8-dione
title_sort 9-(2,4-di­fluoro­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-2h-xanthene-1,8-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998450/
https://www.ncbi.nlm.nih.gov/pubmed/24764989
http://dx.doi.org/10.1107/S1600536814002761
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