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- W2003668906 abstract "The molecular structure and conformation of 2-chlorocyclohexanone have been determined by gas-phase electron diffraction at a nozzle temperature of 103°C. The molecules exist as a mixture of two conformers, axial and equatorial. The mole fraction of axial form is found to be 0.80 ± 0.06, corresponding to a free energy value of 1.0 ± 0.3 kcal mol−1. The results for the distance (rg) and angle (∠α) parameters obtained with an estimated uncertainty of 3σ are: r(CH) = 1.098(5), r(C=O) = 1.211(2), r(CC=)av = 1.501(3), r(C|C)av = 1.546(2), r(CCl) = 1.799(4) Å, ∠ O=C| = 124.6(0.5), ∠CCC = 115.7(10), ∠ClCC = 110.2(5), τC6C2C3 = 48.4(15)° and FLAPC (angle between planes formed by atoms C3C4C5 and C2C3C5) = 51.0(2)°." @default.
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- W2003668906 date "1983-01-01" @default.
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- W2003668906 title "The molecular structure and conformation of 2-chlorocyclohexanone as determined by gas-phase electron diffraction" @default.
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- W2003668906 doi "https://doi.org/10.1016/0022-2860(82)90066-7" @default.
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