Structure Data of Free Polyatomic Molecules
548
C4H7Cl
MW, ab initio
calculations
r0
Cl–C
C(4)–C(1)
C(1,2,3)...X c)
C(4)–H
C(1)–H
C(2,3)–H
(Chloromethyl)cyclopropane
C1 (gauche)
Cl
Å a)
1.8022(50)
1.4967 b)
0.8713 b)
1.0916 b)
1.0857 b)
1.0842 b)
θ0
Cl–C(4)–C(1)
Cl–C(4)–H
C(4)–C(1)–H
C(4)–C(1)...X c)
C(1)...X...C(2,3) c)
X...C(2,3)–H c)
Cl–C(4)–C(1)–H d)
C(4)–C(1)...X...C(2,3) c) d)
C(1)...X...C(2,3)–H c) d)
deg a)
111.00(50)
106.97 b)
114.68 b)
123.92 b)
119.80 b)
122.46 b)
63.14(50)
90.0 b)
90.0 b)
The structure of the gauche form was revised.
a
) Uncertainties were not estimated in the original paper.
) Assumed at the ab initio values.
c
) X denotes the ring center.
d
) Dihedral angle.
b
Heineking, N., Grabow, J.-U., Merke, I.: J. Mol. Struct. 612 (2002) 231.
Replaces II/25C (3, 1685), MW
Landolt-Börnstein
New Series II/28C