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(1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate

There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(21)H(17)Cl(2)FO(3). Both these mol­ecules are very similar: the normal probability plots for bond lengths, angles and even for torsion angles show that the differences are of a statistical nature. A pseudoc...

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Autores principales: Dutkiewicz, Grzegorz, Narayana, B., Veena, K., Yathirajan, H. S., Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051448/
https://www.ncbi.nlm.nih.gov/pubmed/21523109
http://dx.doi.org/10.1107/S160053681100184X
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author Dutkiewicz, Grzegorz
Narayana, B.
Veena, K.
Yathirajan, H. S.
Kubicki, Maciej
author_facet Dutkiewicz, Grzegorz
Narayana, B.
Veena, K.
Yathirajan, H. S.
Kubicki, Maciej
author_sort Dutkiewicz, Grzegorz
collection PubMed
description There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(21)H(17)Cl(2)FO(3). Both these mol­ecules are very similar: the normal probability plots for bond lengths, angles and even for torsion angles show that the differences are of a statistical nature. A pseudocentre of symmetry is located between the symmetry-independent mol­ecules at [0.245 (1), 0.535 (19), 0.909 (1)]. The cyclo­hexene rings have slightly distorted sofa conformations in both mol­ecules and the two benzene rings are inclined by dihedral angles of 61.33 (14) and 62.85 (14)°. In the crystal, relatively short inter­molecular C—H⋯O inter­actions join mol­ecules into homomolecular (i.e. ⋯AAA⋯ and ⋯BBB⋯) chains along the b axis. These chains are inter­connected by further heteromolecular C—H⋯O inter­actions.
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spelling pubmed-30514482011-04-26 (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate Dutkiewicz, Grzegorz Narayana, B. Veena, K. Yathirajan, H. S. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(21)H(17)Cl(2)FO(3). Both these mol­ecules are very similar: the normal probability plots for bond lengths, angles and even for torsion angles show that the differences are of a statistical nature. A pseudocentre of symmetry is located between the symmetry-independent mol­ecules at [0.245 (1), 0.535 (19), 0.909 (1)]. The cyclo­hexene rings have slightly distorted sofa conformations in both mol­ecules and the two benzene rings are inclined by dihedral angles of 61.33 (14) and 62.85 (14)°. In the crystal, relatively short inter­molecular C—H⋯O inter­actions join mol­ecules into homomolecular (i.e. ⋯AAA⋯ and ⋯BBB⋯) chains along the b axis. These chains are inter­connected by further heteromolecular C—H⋯O inter­actions. International Union of Crystallography 2011-01-22 /pmc/articles/PMC3051448/ /pubmed/21523109 http://dx.doi.org/10.1107/S160053681100184X Text en © Dutkiewicz 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
Dutkiewicz, Grzegorz
Narayana, B.
Veena, K.
Yathirajan, H. S.
Kubicki, Maciej
(1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title_full (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title_fullStr (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title_full_unstemmed (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title_short (1RS,6SR)-Ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
title_sort (1rs,6sr)-ethyl 4-(2,4-dichloro­phen­yl)-6-(4-fluoro­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051448/
https://www.ncbi.nlm.nih.gov/pubmed/21523109
http://dx.doi.org/10.1107/S160053681100184X
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