Structure Data of Free Polyatomic Molecules
495
MW
C 4H 2N 2
a
1,1-Dicyanoethene
Methylenepropanedinitrile
1,1-Ethenedicarbonitrile
r0
C–H
C=C
C–C
C≡N
Å
1.087(1)
1.342(3)
1.439(3)
1.159(3)
θ0
H–C–H
C=C–C
C–C–C
C–C≡N
deg
120.20(8)
121.6(2)
116.8(3)
179.6(3)
rIε
C–H
C=C
C–C
C≡N
Å
1.087(1)
1.349(2)
1.436(2)
1.157(1)
θIε
H–C–H
C=C–C
C–C–C
C–C≡N
deg
120.10(5)
121.25(8)
117.5(2)
179.8(1)
rs
C–H
C=C
C–C
C≡N
Å
1.087(1)
1.348(3)
1.435(5)
1.158(3)
θs
H–C–H
C=C–C
C–C–C
C–C≡N
deg
120.11(9)
121.3(3)
117.3(6)
179.8(5)
r ρm
C–H
C=C
C–C
C≡N
Å
1.085(2)
1.344(2)
1.436(2)
1.156(2)
θ ρm
H–C–H
C=C–C
C–C–C
C–C≡N
deg
120.14(8)
121.43(9)
117.1(2)
179.7(2)
re
C–H
C=C
C–C
C≡N
Å a)
1.080(2)
1.342(3)
1.437(5)
1.158(3)
θe
H–C–H
C=C–C
C–C–C
C–C≡N
deg a)
119.28(9)
121.63(30)
116.74(60)
179.70(50)
C2v
CH2
N
C
C
) Uncertainties were not estimated in the original paper.
Demaison, J., Wlodarczak, G., Rück, H., Wiedenmann, K.H., Rudolph, H.D.: J. Mol. Struct.
376 (1996) 399.
Landolt-Börnstein
New Series II/28C
N