Q. Shen
1979
Citations
0
Influential Citations
5
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract 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 ( r a ) and bond angles are: r (CH) = 1.088 (12) A, r (CC) = 1.331 (10) A, r (CC) = 1.502 (6) A, r (CCl) = 1.799 (4) A, ∠CCC = 121° (1), ∠CCCl = 111.5° (6), ∠HCH = 109.5° (assumed), ∠CCH = 120° (assumed), φ 1−3 (GG) = 115° (3), φ 1−3 (AG) = 120° (assumed), and φ 1−4 (AG) = 7° (21) (where φ's are torsional angles and φ 1−3 (GG) = φ 1−4 (GG)).