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Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate
The title molecule, [Fe(C(5)H(5))(C(16)H(11)O(4))], consists of a ferrocenyl moiety and a 4-methylcoumarin group linked through an ester unit to one of the cyclopentadienyl (Cp) rings. The two Cp rings are virually parallel, with an angle between the two least-squares planes of 0.74 (16)°. The d...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257315/ https://www.ncbi.nlm.nih.gov/pubmed/25484779 http://dx.doi.org/10.1107/S1600536814022120 |
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author | Yu, Juan Gao, Lei-Lei Huang, Peng Wang, Dian-Lei |
author_facet | Yu, Juan Gao, Lei-Lei Huang, Peng Wang, Dian-Lei |
author_sort | Yu, Juan |
collection | PubMed |
description | The title molecule, [Fe(C(5)H(5))(C(16)H(11)O(4))], consists of a ferrocenyl moiety and a 4-methylcoumarin group linked through an ester unit to one of the cyclopentadienyl (Cp) rings. The two Cp rings are virually parallel, with an angle between the two least-squares planes of 0.74 (16)°. The distances between the Fe(II) atom and the centroids of the two Cp rings are 1.639 (2) and 1.652 (2) Å. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The dihedral angle between the coumarin ring system and the ferrocenyl ester moiety is 69.17 (19)°. π–π stacking interactions involving the benzene rings of neighbouring coumarin moieties, with centroid–centroid distances of 3.739 (2) Å, consolidate the crystal packing. |
format | Online Article Text |
id | pubmed-4257315 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42573152014-12-05 Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate Yu, Juan Gao, Lei-Lei Huang, Peng Wang, Dian-Lei Acta Crystallogr Sect E Struct Rep Online Data Reports The title molecule, [Fe(C(5)H(5))(C(16)H(11)O(4))], consists of a ferrocenyl moiety and a 4-methylcoumarin group linked through an ester unit to one of the cyclopentadienyl (Cp) rings. The two Cp rings are virually parallel, with an angle between the two least-squares planes of 0.74 (16)°. The distances between the Fe(II) atom and the centroids of the two Cp rings are 1.639 (2) and 1.652 (2) Å. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The dihedral angle between the coumarin ring system and the ferrocenyl ester moiety is 69.17 (19)°. π–π stacking interactions involving the benzene rings of neighbouring coumarin moieties, with centroid–centroid distances of 3.739 (2) Å, consolidate the crystal packing. International Union of Crystallography 2014-10-15 /pmc/articles/PMC4257315/ /pubmed/25484779 http://dx.doi.org/10.1107/S1600536814022120 Text en © Yu et al. 2014 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 | Data Reports Yu, Juan Gao, Lei-Lei Huang, Peng Wang, Dian-Lei Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title | Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title_full | Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title_fullStr | Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title_full_unstemmed | Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title_short | Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate |
title_sort | crystal structure of 4-methyl-2-oxo-2h-chromen-7-yl ferrocenecarboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257315/ https://www.ncbi.nlm.nih.gov/pubmed/25484779 http://dx.doi.org/10.1107/S1600536814022120 |
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