Structure Data of Free Polyatomic Molecules
393
MW
C3H6ClNO
φ )
deg a)
116.8(5)
Atom
Cl
|as| [Å]
2.119
θ0
b
(E)-1-Chloro-2-propanone oxime
Chloroacetone oxime
C1
N
Cl
|bs| [Å] |cs| [Å]
0.0 c) 0.255
The observed rotational constants, in particular, the change
in Icc–Iaa–Ibb upon substitution of 35Cl by 37Cl and the
rs-coordinates of Cl agreed well with those expected for the
anticlinal form in the E-isomer.
a
) Uncertainty was not estimated in the original paper.
) Dihedral angle Cl–C(1)–C(2)=N.
c
) Assumed.
b
Sakaizumi, T., Imajo, H., Usami, T., Kuze, N., Ohashi, O., Iijima, K.: J. Mol. Struct. 522
(2000) 243.
Landolt-Börnstein
New Series II/28C
OH
CH3