Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate

The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol­ecules (A and B) which differ significantly in the orientations of ethyl carboxyl­ate groups. The phenyl ring in mol­ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The c...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Rao, Jyothi N., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960071/
https://www.ncbi.nlm.nih.gov/pubmed/21581416
http://dx.doi.org/10.1107/S1600536808039093
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author Fun, Hoong-Kun
Jebas, Samuel Robinson
Rao, Jyothi N.
Kalluraya, B.
author_facet Fun, Hoong-Kun
Jebas, Samuel Robinson
Rao, Jyothi N.
Kalluraya, B.
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol­ecules (A and B) which differ significantly in the orientations of ethyl carboxyl­ate groups. The phenyl ring in mol­ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclo­hexenone ring of both mol­ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in mol­ecule A and 70.8 (3)° in mol­ecule B [57.5 (4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.
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spelling pubmed-29600712010-12-30 Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate Fun, Hoong-Kun Jebas, Samuel Robinson Rao, Jyothi N. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol­ecules (A and B) which differ significantly in the orientations of ethyl carboxyl­ate groups. The phenyl ring in mol­ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclo­hexenone ring of both mol­ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in mol­ecule A and 70.8 (3)° in mol­ecule B [57.5 (4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions. International Union of Crystallography 2008-11-26 /pmc/articles/PMC2960071/ /pubmed/21581416 http://dx.doi.org/10.1107/S1600536808039093 Text en © Fun et al. 2008 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
Fun, Hoong-Kun
Jebas, Samuel Robinson
Rao, Jyothi N.
Kalluraya, B.
Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title_full Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title_fullStr Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title_full_unstemmed Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title_short Ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
title_sort ethyl 4-(4-methoxy­phen­yl)-2-oxo-6-phenyl­cyclo­hex-3-ene-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960071/
https://www.ncbi.nlm.nih.gov/pubmed/21581416
http://dx.doi.org/10.1107/S1600536808039093
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AT jebassamuelrobinson ethyl44methoxyphenyl2oxo6phenylcyclohex3ene1carboxylate
AT raojyothin ethyl44methoxyphenyl2oxo6phenylcyclohex3ene1carboxylate
AT kallurayab ethyl44methoxyphenyl2oxo6phenylcyclohex3ene1carboxylate

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