Crystal structure of 1-ferrocenyl-2-(4-nitro-phen-yl)ethyne

The title ferrocene derivative, [Fe(C H ) (C NO )], including an alkyne bonded to a -nitro-phenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitro-benzene, crystallizes in the 2 / space group. In the ferrocene unit...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-08, Vol.76 (Pt 8), p.1403-1406
Hauptverfasser: Delgado Rivera, Sara M, González Espiet, Jean C, Dones, Jesús M, Henríquez López, Sebastián A, Guadalupe, Ana R, Piñero Cruz, Dalice M, Montes González, Ingrid
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Sprache:eng
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Zusammenfassung:The title ferrocene derivative, [Fe(C H ) (C NO )], including an alkyne bonded to a -nitro-phenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitro-benzene, crystallizes in the 2 / space group. In the ferrocene unit, the penta-dienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substituted cyclo-penta-dienyl ring and the -nitro-phenyl group is 6.19 (10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important inter-molecular inter-actions arise from π-π stacking between the Cp rings and the -nitro-phenyl, from corners of the Cp rings that are perpendicularly aligned, and between the O atoms from the nitro substituent and carbons at the corners of the Cp rings, propagating along all three crystallographic axes.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989020010336