The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate

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

doi:10.1016/S0022-328X(00)86839-4

The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate

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

Medicine - Geriatrics, Palliative and Primary Care (GPPC)

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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 D_c 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 language	English (US)
Pages (from-to)	79-85
Number of pages	7
Journal	Journal of Organometallic Chemistry
Volume	238
Issue number	1
DOIs	https://doi.org/10.1016/S0022-328X(00)86839-4
State	Published - Oct 19 1982

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Funding Information:
We are grateful to the U.S. National Science Foundation for support of this work.

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title = "The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate",

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) {\AA}, 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.",

author = "Rogers, {Robin D.} and Atwood, {Jerry L.} and Rausch, {Marvin D.} and Macomber, {David W.} and Hart, {William P.}",

note = "Funding Information: We are grateful to the U.S. National Science Foundation for support of this work.",

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AU - Rogers, Robin D.

AU - Atwood, Jerry L.

AU - Rausch, Marvin D.

AU - Macomber, David W.

AU - Hart, William P.

N1 - Funding Information: We are grateful to the U.S. National Science Foundation for support of this work.

PY - 1982/10/19

Y1 - 1982/10/19

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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The formation and molecular structure of acetylcyclopentadienylsodium-tetrahydrofuranate

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