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Crystal and molecular structure of (η5)-C5H5)Co(HNC6H4NH), a cobalto-quinonediimine complex

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Abstract

The X-ray structure determination of (η 5-C5H5)Co(HNC6H4NH) (Ib) reveals that the compound crystallizes in the monoclinic space groupP21/n witha=12.479(3),b=8.865(2),c=17.817(5) Å, {iβ}=94.70(2)°,V=1964.4(6) Å3,Z=8 (two independent molecules form the asymmetric unit). Least-squares refinement based on 1894 independent observed reflections,I≥2.5σ(I), resulted in a finalR value of 0.054. A pattern of somewhat shortened Co-N bonds (〈av〉 1.83 Å), short C-N bonds (〈av〉 1.34 Å), Co-N-C bond angles consistent with trigonally hybridized N, and a nearly planar metallocyclic ring suggest that some electron delocalization may exist in the ring. This pattern, however, may also be explicable in terms of factors other than delocalization; alternatives are discussed. The structure may best be regarded as a CoI complex containing ano-quinonediimine ligand.

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Authors and Affiliations

  1. Department of Chemistry, University of Delaware, 19711, Newark, Delaware

    Arnold L. Rheingold, William C. Fultz, Thomas B. Brill & Shayne J. Landon

Authors
  1. Arnold L. Rheingold
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  2. William C. Fultz
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  3. Thomas B. Brill
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  4. Shayne J. Landon
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Rheingold, A.L., Fultz, W.C., Brill, T.B. et al. Crystal and molecular structure of (η5)-C5H5)Co(HNC6H4NH), a cobalto-quinonediimine complex. Journal of Crystallographic and Spectroscopic Research 13, 317–323 (1983). https://doi.org/10.1007/BF01161295

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  • DOI: https://doi.org/10.1007/BF01161295

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