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:
Data Reports
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
Descripción
Sumario: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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