Cargando…
(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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782199481363595264 |
---|---|
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. |
format | Text |
id | pubmed-3051448 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT dutkiewiczgrzegorz 1rs6srethyl424dichlorophenyl64fluorophenyl2oxocyclohex3ene1carboxylate AT narayanab 1rs6srethyl424dichlorophenyl64fluorophenyl2oxocyclohex3ene1carboxylate AT veenak 1rs6srethyl424dichlorophenyl64fluorophenyl2oxocyclohex3ene1carboxylate AT yathirajanhs 1rs6srethyl424dichlorophenyl64fluorophenyl2oxocyclohex3ene1carboxylate AT kubickimaciej 1rs6srethyl424dichlorophenyl64fluorophenyl2oxocyclohex3ene1carboxylate |