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Synthesis and crystal structure of 1,1'-bis-{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]meth-yl}ferrocene, and its complexation with CuI.

ABSTRACT: The title compound, [Fe(C13H11N4)2], was synthesized starting from 1,1'-ferro-cene-di-carb-oxy-lic acid in a three-step reaction sequence. The di-carb-oxy-lic acid was reduced to 1,1'-ferrocenedi-methanol using LiAlH4 and subsequently converted to 1,1'-bis-(azido-meth-yl)ferrocene in the presence of NaN3. The diazide was treated with 2-ethynyl-pyridine under 'click' conditions to give the title compound in 75% yield. The FeII center lies on an inversion center in the crystal. The two pyridyl-triazole wings are oriented in an anti conformation and positioned exo from the FeII center. In the solid state, the mol-ecules inter-act by C-H?N, C-H??, and ?-? inter-actions. The complexation of the ligand with [Cu(CH3CN)4](PF6) gives a tetra-nuclear dimeric complex.

SUBMITTER: Pokharel UR 

PROVIDER: S-EPMC7534253 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of 1,1'-bis-{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]meth-yl}ferrocene, and its complexation with Cu<sup>I</sup>.

Pokharel Uttam R UR   Naquin Aaron P AP   Brochon Connor P CP   Fronczek Frank R FR  

Acta crystallographica. Section E, Crystallographic communications 20200904 Pt 10

The title compound, [Fe(C<sub>13</sub>H<sub>11</sub>N<sub>4</sub>)<sub>2</sub>], was synthesized starting from 1,1'-ferro-cene-di-carb-oxy-lic acid in a three-step reaction sequence. The di-carb-oxy-lic acid was reduced to 1,1'-ferrocenedi-methanol using LiAlH<sub>4</sub> and subsequently converted to 1,1'-bis-(azido-meth-yl)ferrocene in the presence of NaN<sub>3</sub>. The diazide was treated with 2-ethynyl-pyridine under 'click' conditions to give the title compound in 75% yield. The Fe<sup>II  ...[more]

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