@article{Vega_Pizarro_Saldías_Palominos_2020, title={STRUCTURE OF fac-[(ppyEt)Re(CO)3Br], A MONONUCLEAR ReI COMPLEX DERIVED FROM PYRROLINE-PYRAZOLYL-PYRIDAZINE}, volume={65}, url={https://www.jcchems.com/index.php/JCCHEMS/article/view/1416}, abstractNote={<p>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 (<strong>ppyEt</strong>). The reaction of <strong>ppyEt</strong> with bromotricarbonyl(tetrahydrofuran)-rhenium(I) dimer leads to <strong>[(ppyEt)Re(CO)<sub>3</sub>Br]</strong> compound. The molecule of <strong>[(ppyEt)Re(CO)<sub>3</sub>Br] </strong>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.</p> <p><img src="/public/site/images/carlos/Captura_1416.PNG"></p&gt;}, number={3}, journal={Journal of the Chilean Chemical Society}, author={Vega, Andres and Pizarro, Nancy and Saldías, Marianela and Palominos, Franco}, year={2020}, month={Sep.}, pages={4861-4864} }