Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate

Acta Crystallographica Section E

Dian-Lei Wang¹  Peng Huang¹  Lei-Lei Gao¹  Juan Yu¹ 

[1] School of Pharmacy, Anhui University of Chinese Medicine, Hefei 230038, People's Republic of China;

关键词: crystal structure;    ferrocene;    coumarin;    pharmacological activity 4-methyl-2-oxo-2H-chromene-7-yl ferrocenecarboxylate;   

DOI  :  10.1107/S1600536814022120

来源: DOAJ

【 摘 要 】

The title molecule, [Fe(C5H5)(C16H11O4)], 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 FeII 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.

【 授权许可】

Unknown