Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
There are two independent molecules in the asymmetric unit of the title compound, C21H18BrFO3, in which the dihedral angles between the fluorophenyl and bromophenyl groups are 77.0 (1) and 85.8 (1)°. In one of the molecules, two methine C—H groups of the cyclohexene ring are disordered over two...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470264/ |
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pubmed-34702642012-11-02 Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Sapnakumari, M. Narayana, B. Sarojini, B. K. Organic Papers There are two independent molecules in the asymmetric unit of the title compound, C21H18BrFO3, in which the dihedral angles between the fluorophenyl and bromophenyl groups are 77.0 (1) and 85.8 (1)°. In one of the molecules, two methine C—H groups of the cyclohexene ring are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio. In both molecules, the atoms of the ethyl group were refined as disordered over two sets of sites with occupancies of 0.67 (2):0.33 (2) and 0.63 (4):0.37 (4). The cyclohexene rings have slightly distorted sofa conformations in both molecules. In the crystal, C—H⋯O interactions link molecules into chains along the b axis. International Union of Crystallography 2012-09-12 /pmc/articles/PMC3470264/ /pubmed/23125708 http://dx.doi.org/10.1107/S1600536812038202 Text en © Kant et al. 2012 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Sapnakumari, M. Narayana, B. Sarojini, B. K. |
| spellingShingle |
Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Sapnakumari, M. Narayana, B. Sarojini, B. K. Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| author_facet |
Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Sapnakumari, M. Narayana, B. Sarojini, B. K. |
| author_sort |
Kant, Rajni |
| title |
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| title_short |
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| title_full |
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| title_fullStr |
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| title_full_unstemmed |
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| title_sort |
ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate |
| description |
There are two independent molecules in the asymmetric unit of the title compound, C21H18BrFO3, in which the dihedral angles between the fluorophenyl and bromophenyl groups are 77.0 (1) and 85.8 (1)°. In one of the molecules, two methine C—H groups of the cyclohexene ring are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio. In both molecules, the atoms of the ethyl group were refined as disordered over two sets of sites with occupancies of 0.67 (2):0.33 (2) and 0.63 (4):0.37 (4). The cyclohexene rings have slightly distorted sofa conformations in both molecules. In the crystal, C—H⋯O interactions link molecules into chains along the b axis. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470264/ |
| _version_ |
1611915851957534720 |