Structure Data of Free Polyatomic Molecules
510
MW
C 4H 4N 2
Pyrimidine
C2v
N
r0
N–C(2)
N–C(4)
C–C
C–H
Å
1.338(4)
1.339(5)
1.393(4)
1.089 a)
deg
θ0
N–C–N
127.4(4)
C–N–C
115.7(4)
N–C–C
122.3(4)
C–C–C
116.6(3)
C(5)–C(4)–H 121 a)
rs
N–C(2)
N–C(4)
C–C
Å
1.337(2)
1.332(3)
1.393(2)
θs
Atom
C(2)
C(4)
C(5)
N
a
|as| [Å]
0.0
1.1843
0.0
1.1982
N–C–N
C–N–C
N–C–C
C–C–C
N
deg
127.2(3)
115.8(3)
122.4(3)
116.4(2)
|bs| [Å]
1.2791
0.6468
1.3804
0.6848
) Assumed.
Kisiel, Z., Pszczółkowski, L., López, J.C., Alonso, J.L., Marris, A., Caminati, W.: J. Mol.
Spectrosc. 195 (1999) 332.
II/25C (3, 1553)
Landolt-Börnstein
New Series II/28C