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Molecular structures of the pentaphenylcyclopentadienyl iron complexes [(C 5 Ph 5 )Fe(CO) 2 R ] ( R = Me, Ph, iPr and Bu)
Author(s) -
Sünkel Karlheinz,
Klein-Hessling Christian
Publication year - 2021
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229621006057
Subject(s) - chemistry , isopropyl , alkyl , steric effects , aryl , medicinal chemistry , yield (engineering) , stereochemistry , crystal structure , lithium (medication) , crystallography , organic chemistry , materials science , medicine , metallurgy , endocrinology
The Pd II ‐catalysed reaction of [(C 5 Ph 5 )Fe(CO) 2 Br] with Grignard compounds R Mg X or butyl lithium gave the iron alkyl/aryl complexes [(C 5 Ph 5 )Fe(CO) 2 R ] ( R = Me, Ph, iPr and Bu) in 59–73% yield, namely, dicarbonylmethyl(η 5 ‐pentaphenylcyclopentadienyl)iron, [Fe(CH 3 )(C 35 H 25 )(CO) 2 ], dicarbonyl(η 5 ‐pentaphenylcyclopentadienyl)phenyliron, [Fe(C 6 H 5 )(C 35 H 25 )(CO) 2 ], dicarbonyl(isopropyl)(η 5 ‐pentaphenylcyclopentadienyl)iron, [Fe(C 3 H 7 )(C 35 H 25 )(CO) 2 ], and butyldicarbonyl(η 5 ‐pentaphenylcyclopentadienyl)iron, [Fe(C 4 H 9 )(C 35 H 25 )(CO) 2 ]. The crystal structure determinations showed the usual `paddle‐wheel' orientation of the phenyl rings, with an average canting angle of ca 50°. The bond parameters are mainly dictated by the steric requirements of the alkyl/aryl groups and only the phenyl complex shows electronic effects.