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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...

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Detalles Bibliográficos
Autores principales: Yu, Juan, Gao, Lei-Lei, Huang, Peng, Wang, Dian-Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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