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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, C(21)H(18)BrFO(3), 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 ov...

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Autores principales: Kant, Rajni, Gupta, Vivek K., Kapoor, Kamini, Sapnakumari, M., Narayana, B., Sarojini, B. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470264/
https://www.ncbi.nlm.nih.gov/pubmed/23125708
http://dx.doi.org/10.1107/S1600536812038202
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author Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Sapnakumari, M.
Narayana, B.
Sarojini, B. K.
author_facet Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Sapnakumari, M.
Narayana, B.
Sarojini, B. K.
author_sort Kant, Rajni
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(21)H(18)BrFO(3), 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.
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spelling 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. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(21)H(18)BrFO(3), 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.
spellingShingle Organic Papers
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
title 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_short 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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470264/
https://www.ncbi.nlm.nih.gov/pubmed/23125708
http://dx.doi.org/10.1107/S1600536812038202
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