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rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one

The title compound, [Fe(C(5)H(5))(C(21)H(24)NO(2))], which is produced by the oxidation of 1-(4-tert-butyl­phen­yl)-2-ethyl-3-ferrocenyl­pyrrole, crystallizes as a racemic mixture in the centrosymmetric space group P2(1)/n. The central heterocyclic pyrrole ring system subtends dihedral angles of 13....

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Detalles Bibliográficos
Autores principales: Biletzki, Tobias, Görls, Helmar, Imhof, Wolfgang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088329/
https://www.ncbi.nlm.nih.gov/pubmed/37057018
http://dx.doi.org/10.1107/S2056989023001858
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author Biletzki, Tobias
Görls, Helmar
Imhof, Wolfgang
author_facet Biletzki, Tobias
Görls, Helmar
Imhof, Wolfgang
author_sort Biletzki, Tobias
collection PubMed
description The title compound, [Fe(C(5)H(5))(C(21)H(24)NO(2))], which is produced by the oxidation of 1-(4-tert-butyl­phen­yl)-2-ethyl-3-ferrocenyl­pyrrole, crystallizes as a racemic mixture in the centrosymmetric space group P2(1)/n. The central heterocyclic pyrrole ring system subtends dihedral angles of 13.7 (2)° with respect to the attached cyclo­penta­dienyl ring and of 43.6 (7)° with the major component of the disordered phenyl group bound to the N atom. The 4-tert-butyl­phenyl group, as well as the non-substituted Cp ring are disordered with s.o.f. values of 0.589 (16) and 0.411 (16), respectively. In the crystal, mol­ecules with the same absolute configuration are linked into infinite chains along the b-axis direction by O—H⋯O hydrogen bonds between the hy­droxy substituent and the carbonyl O atom of the adjacent mol­ecule.
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spelling pubmed-100883292023-04-12 rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one Biletzki, Tobias Görls, Helmar Imhof, Wolfgang Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Fe(C(5)H(5))(C(21)H(24)NO(2))], which is produced by the oxidation of 1-(4-tert-butyl­phen­yl)-2-ethyl-3-ferrocenyl­pyrrole, crystallizes as a racemic mixture in the centrosymmetric space group P2(1)/n. The central heterocyclic pyrrole ring system subtends dihedral angles of 13.7 (2)° with respect to the attached cyclo­penta­dienyl ring and of 43.6 (7)° with the major component of the disordered phenyl group bound to the N atom. The 4-tert-butyl­phenyl group, as well as the non-substituted Cp ring are disordered with s.o.f. values of 0.589 (16) and 0.411 (16), respectively. In the crystal, mol­ecules with the same absolute configuration are linked into infinite chains along the b-axis direction by O—H⋯O hydrogen bonds between the hy­droxy substituent and the carbonyl O atom of the adjacent mol­ecule. International Union of Crystallography 2023-03-07 /pmc/articles/PMC10088329/ /pubmed/37057018 http://dx.doi.org/10.1107/S2056989023001858 Text en © Biletzki et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Biletzki, Tobias
Görls, Helmar
Imhof, Wolfgang
rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title_full rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title_fullStr rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title_full_unstemmed rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title_short rac-1-(4-tert-Butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1H-pyrrol-2(5H)-one
title_sort rac-1-(4-tert-butyl­phen­yl)-5-ethyl-4-ferrocenyl-5-hy­droxy-1h-pyrrol-2(5h)-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088329/
https://www.ncbi.nlm.nih.gov/pubmed/37057018
http://dx.doi.org/10.1107/S2056989023001858
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