Structure Data of Free Polyatomic Molecules
381
MW
C3H5NO
(E)-1-Nitroso-1-propene
H3C
r0
N=O
C(2)–C(3)
C(1)–H(1)
C(3)–H(5)
C(3)–H(3,4)
C(2)–H(2)
C(1)=C(2)
C–N
Atom
N
Å
1.220 a)
1.501 a)
1.081 a)
1.085 a)
1.089 a)
1.091 a)
I
II
1.359(9) 1.352(8)
1.409(9) 1.415(8)
|as| [Å]
1.226
θ0
C(2)=C(1)–N
C(2)–C(3)–H(5)
C(2)–C(3)–H(3,4)
C(2)=C(1)–H(1)
C(1)=C(2)–H(2)
C(1)=C(2)–C(3)
C–N=O
Cs (syn)
N
O
deg
116.1 a)
111.2 a)
111.2 a)
120.5 a)
119.0 a)
I
II
124.86(3) 124.3 a)
112.9 a)
113.49(5)
|bs| [Å]
0.442
Two sets of structural parameters I and II were reported.
a
) Assumed.
Sakaizumi, T., Tanaka, H., Hirano, K., Kuze, N., Ohashi, O.: J. Mol. Spectrosc. 194 (1999) 79.
Landolt-Börnstein
New Series II/28C