Structure Data of Free Polyatomic Molecules
496
MW
C 4H 2N 2
a
(2Z)-2-Butenedinitrile
Maleonitrile
a
r0
H–C
C=C
C–C
C≡N
Å )
1.099(5)
1.340(3)
1.428(3)
1.160(3)
rs
H–C
C=C
C–C
C≡N
Å a)
1.099(3)
1.338(2)
1.446(2)
1.143(2)
re
H–C
C=C
C–C
C≡N
Å a)
1.075(5)
1.341(5)
1.429(5)
1.157(5)
Atom
C(2)
C(1)
N
H
|as| [Å]
0.66921
1.44868
2.11075
1.25523
θ0
H–C=C
C–C=C
N≡C–C
a
deg )
122.2(5)
123.1(3)
178.4(3) b)
θs
deg a)
122.2(3)
122.6(2)
177.2(2) b)
θe
deg a)
119.4(5)
123.2(5)
178.4(5) b)
H–C=C
C–C=C
N≡C–C
H–C=C
C–C=C
N≡C–C
C2v
C
C
N
N
|bs| [Å]
1.14084
0.07722
1.00891
2.07052
) Uncertainties were not estimated in the original paper, except for re.
) Bent out.
b
Halter, R.J., Fimmen, R.L., McMahon, R.J., Peebles, S.A., Kuczkowski, R.L., Stanton, J.F.:
J. Am. Chem. Soc. 123 (2001) 12353.
Landolt-Börnstein
New Series II/28C