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Yu J, Gao LL, Huang P, et al. Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocene-carboxyl-ate. Acta Crystallogr Sect E Struct Rep Online. 2014;70:m369-70doi: 10.1107/S1600536814022120.
Yu, J., Gao, L. L., Huang, P., & Wang, D. L. (2014). Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocene-carboxyl-ate. Acta crystallographica. Section E, Structure reports online, 70m369-70. https://doi.org/10.1107/S1600536814022120
Yu, Juan, et al. "Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocene-carboxyl-ate." Acta crystallographica. Section E, Structure reports online vol. 70 (2014): m369-70. doi: https://doi.org/10.1107/S1600536814022120
Yu J, Gao LL, Huang P, Wang DL. Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocene-carboxyl-ate. Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 15;70:m369-70. doi: 10.1107/S1600536814022120. eCollection 2014 Nov 01. PMID: 25484779; PMCID: PMC4257315.
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Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 15;70:m369-70. doi: 10.1107/S1600536814022120. eCollection 2014 Nov 01.

Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocene-carboxyl-ate.

Acta crystallographica. Section E, Structure reports online

Juan Yu, Lei-Lei Gao, Peng Huang, Dian-Lei Wang

Affiliations

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

PMID: 25484779 PMCID: PMC4257315 DOI: 10.1107/S1600536814022120

Abstract

The title mol-ecule, [Fe(C5H5)(C16H11O4)], consists of a ferrocenyl moiety and a 4-methyl-coumarin group linked through an ester unit to one of the cyclo-penta-dienyl (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 inter-actions involving the benzene rings of neighbouring coumarin moieties, with centroid-centroid distances of 3.739 (2) Å, consolidate the crystal packing.

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

References

  1. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed
  2. Curr Pharm Des. 2013;19(21):3884-930 - PubMed

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