Add time:07/18/2019         Source:sciencedirect.com

The molecular structure of 3-chloro-2-chloromethyl-1-propene has been studied by electron diffraction in the gas phase at a nozzle temperature of 90°C. The experimental data are consistent with a model of a mixture of two conformers, GG (66%, σ = 6.7%) and AG (34%); however, the presence of a small amount of the AA form cannot be excluded. Based upon the assumption that the conformers differ only in the torsion-angle values, the best least-squares values of the bond lengths (ra) and bond angles are: r(CH) = 1.088 (12) Å, r(CC) = 1.331 (10) Å, r(CC) = 1.502 (6) Å, r(CCl) = 1.799 (4) Å, ∠CCC = 121° (1), ∠CCCl = 111.5° (6), ∠HCH = 109.5° (assumed), ∠CCH = 120° (assumed), φ1−3(GG) = 115° (3), φ1−3(AG) = 120° (assumed), and φ1−4(AG) = 7° (21) (where φ's are torsional angles and φ1−3(GG) = φ1−4(GG)).

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