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 |
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Hauptverfasser: | , , , , , , |
Format: | Artikel |
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. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989020010336 |