The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate |
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| Authors: | Robin D Rogers Jerry L Atwood Marvin D Rausch David W Macomber William P Hart |
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| Institution: | Department of Chemistry, University of Alabama, University, AL 35486 U.S.A.;Department of Chemistry, University of Massachusetts, Amherst, MA 01002 U.S.A. |
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| Abstract: | Acetylcyclopentadienylsodium has been isolated in crystalline form as a THF adduct from a reaction between cyclopentadienylsodium and methyl acetate in THF solution. The product has been characterized by means of a single-crystal X-ray diffraction study. {C5H4CMeO]Na·THF}n crystallizes in the monoclinic space group P21/c with unit cell parameters a 6.698(3), b 16.095(4), c 10.661(3) Å, β 92.93(3)° and Dc 1.17 g cm?3 for Z = 4. Least-squares refinement led to a final R value of 0.080 based on 661 independent observed reflections. The coordination sphere around each sodium atom consists of the oxygen atoms from two C5H4CMeO ligands, the oxygen atom of the THF molecule, and an ion contact pair between the sodium and the five ring carbon atoms of the C5H4CMeO ligand. |
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