The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate

Robin D. Rogers, Jerry L. Atwood, Marvin D. Rausch, David W. Macomber, William P. Hart

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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.

Original languageEnglish (US)
Pages (from-to)79-85
Number of pages7
JournalJournal of Organometallic Chemistry
Volume238
Issue number1
DOIs
StatePublished - Oct 19 1982

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Molecular Structure
Molecular structure
oxygen atoms
molecular structure
Sodium
sodium
Oxygen
Ligands
Atoms
ligands
Least-Squares Analysis
X-Ray Diffraction
adducts
atoms
acetates
Carbon
Ions
carbon
rings
single crystals

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The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate. / Rogers, Robin D.; Atwood, Jerry L.; Rausch, Marvin D.; Macomber, David W.; Hart, William P.

In: Journal of Organometallic Chemistry, Vol. 238, No. 1, 19.10.1982, p. 79-85.

Research output: Contribution to journalArticle

Rogers, Robin D. ; Atwood, Jerry L. ; Rausch, Marvin D. ; Macomber, David W. ; Hart, William P. / The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate. In: Journal of Organometallic Chemistry. 1982 ; Vol. 238, No. 1. pp. 79-85.
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AU - Hart, William P.

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N2 - 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.

AB - 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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