Abstract
The crystal structures of the nitrophenylferrocenes [Fe(η-C5H5)(η-C5H4R)][R =o-(1), m-(2), or p-O2NC6H4(3)] have been determined. All three structures consist of discrete molecules with the iron atom η5-bonded to both cyclopentadienyl rings with bond lengths in the range 1.997(9)–2.120(10)A. The steric constraints of the nitro group lead to different conformations in the three structures. Thus in the ortho structure, the o-nitro group intersects the phenyl ring at angle (Θ′) of 42.3(1)° and the phenyl ring intersects the cyclopentadienyl (cp) ring at an angle (Θ) of 43.6(1)°. Corresponding angles in the less crowded meta and para structures are 10.3(1), 17.4(1)(meta) and 2.9(1), 12.5(1)°(para) respectively. These structures are discussed in conjunction with that of 2,2′,5,5′-tetramethyl-1,1′-bis(2″,4″,6″-trimethylphenyl)ferrocene, (4), and other ortho-substituted phenylferrocenes. Iron-57 Mossbauer and 13C n.m.r. data for (4) are presented and discussed. The 13C data have been used in an estimation of Θ for a number of ortho-substituted phenylferrocenes. A critical survey of known structures of ferrocene derivatives is also presented.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
