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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....
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10088329 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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