Unknown

Dataset Information

0

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

ABSTRACT: The title ferrocene derivative, [Fe(C5H5)2(C8NO2)], including an alkyne bonded to a para-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 P21/n 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 p-nitro-phenyl group is 6.19?(10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important inter-molecular inter-actions arise from ?-? stacking between the Cp rings and the p-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.

SUBMITTER: Delgado Rivera SM 

PROVIDER: S-EPMC7405585 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Delgado Rivera Sara M SM   González Espiet Jean C JC   Dones Jesús M JM   Henríquez López Sebastián A SA   Guadalupe Ana R AR   Piñero Cruz Dalice M DM   Montes González Ingrid I  

Acta crystallographica. Section E, Crystallographic communications 20200731 Pt 8

The title ferrocene derivative, [Fe(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>8</sub>NO<sub>2</sub>)], including an alkyne bonded to a <i>para</i>-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 <i>P</i>2<sub>1</sub>/<i>n</i> space group. In the ferrocene unit, the penta-dienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substitut  ...[more]

Similar Datasets

Unknown 3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile.
| S-EPMC3200961 | biostudies-literature
Unknown 2-Ferrocenyl-6-(3-nitro-phen-yl)quinoline.
| S-EPMC3998599 | biostudies-literature
Unknown Crystal structure of 2-nitro-N-(2-nitro-phen-yl)benzamide.
| S-EPMC4459296 | biostudies-literature
Unknown Crystal structure of phenyl N-(4-nitro-phen-yl)carbamate.
| S-EPMC4719927 | biostudies-literature
Unknown Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.
| S-EPMC5778485 | biostudies-literature
Unknown 1-Acetyl-3-ferrocenyl-5-(2-nitro-phen-yl)-2-pyrazoline.
| S-EPMC2960933 | biostudies-literature
Unknown Crystal structure of meso-tetra-kis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.
| S-EPMC4257332 | biostudies-literature
Unknown Crystal structure of 2-(3-nitro-phen-yl)-1,3-di-thiane.
| S-EPMC4350730 | biostudies-literature
Unknown Crystal structure of 3-chloro-N-(2-nitro-phen-yl)benzamide.
| S-EPMC4555397 | biostudies-literature
Unknown Crystal structure of 2,3-dimeth-oxy-N-(4-nitro-phen-yl)benzamide.
| S-EPMC5778482 | biostudies-literature