Vol 65 No 3 (2020): Journal of the Chilean Chemical Society
Original Research Papers


Andres Vega
Universidad Nacional Andres Bello
Nancy Pizarro
Universidad Andrés Bello
Published September 9, 2020
  • Structure,
  • Rhenium (I)
How to Cite
Vega, A., Pizarro, N., Saldías, M., & Palominos, F. (2020). STRUCTURE OF fac-[(ppyEt)Re(CO)3Br], A MONONUCLEAR ReI COMPLEX DERIVED FROM PYRROLINE-PYRAZOLYL-PYRIDAZINE. Journal of the Chilean Chemical Society, 65(3), 4861-4864. Retrieved from


The reaction of 6-(1H-3,5-dimethylpyrazolyl)pyridazine-3-carboxylic acid with oxalyl chloride and then 2,4-dimethyl-3-ethylpyrrole leads to [6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl](4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methanone (ppyEt). The reaction of ppyEt with bromotricarbonyl(tetrahydrofuran)-rhenium(I) dimer leads to [(ppyEt)Re(CO)3Br] compound. The molecule of [(ppyEt)Re(CO)3Br] displays a non-regular octahedron around the rhenium(I) center with a bromide. The molecule defines an intramolecular hydrogen bond between the 4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl hydrogen atom and one nitrogen from the pyridazin-3-yl fragment with D···A 2.833(17) Å. The coplanarity of the 4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl-carbonyl is attributed to this intramolecular bond, in addition to C—H···O≡C and N—H···O≡C interactions as suggested by NCI calculations.



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