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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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). |
format | Online Article Text |
id | pubmed-3998450 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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