STRUCTURE OF fac-[(ppyEt)Re(CO)3Br], A MONONUCLEAR ReI COMPLEX DERIVED FROM PYRROLINE-PYRAZOLYL-PYRIDAZINE
ABSTRACT 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(tet...
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| Autores principales: | , , , |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2020
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| Materias: | |
| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072020000304861 |
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| Sumario: | ABSTRACT 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]displaysa 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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