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3-(4-Ferrocenylphenyl)-1-(4-nitrobenzyl)-1 <i>H</i> -imidazol-3-ium hexafluoridophosphate

Abstract

The asymmetric unit of the title salt, [Fe(C<sub>5</sub>H<sub>5</sub>)(C<sub>21</sub>H<sub>17</sub>N<sub>3</sub>O<sub>2</sub>]PF<sub>6</sub>, comprises a 1-(4-ferrocenylphen-yl)-3-(4-nitro-benz-yl)imidazolium cation paired with a hexa-fluorido-phosphate anion. The cation adopts a <i>syn</i>-periplanar arrangement, with the ferrocenylphenyl substituent tilted by 38.32 (7)° relative to the imidazolium core. The ferrocenyl fragment shows a nearly eclipsed conformation defined by a C(Cp)-<i>Cg</i>(Cp1)-<i>Cg</i>(Cp2)-C(Cp) torsion angle of -7.9° where <i>Cg</i>1 and <i>Cg</i>2 are the centroids of the cyclo-penta-dienyl rings of the ferrocenyl substituent. In the crystal, inter-ionic C-H⋯F hydrogen bonds generate graph-set motifs <i>R</i> <sup>1</sup> <sub>2</sub>(7) and <i>R</i> <sup>2</sup> <sub>1</sub>(4), assembling the ions into chains that propagate parallel to [001].

Research topics

  • Ferrocene Chemistry and Applications
  • Crystal structures of chemical compounds
  • Synthesis and Reactions of Organic Compounds

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DOI: 10.1107/s2414314626002713

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