Structure Data of Free Polyatomic Molecules
794
MW
C 7H 7F
1-Fluoro-4-methylbenzene
p-Fluorotoluene
rs
C(1)–C(2)
C(2)–C(3)
C(3)–C(4)
C(4)–C(7)
C(1)...C(4)
Å
1.384(1)
1.389(1)
1.398(1)
1.510(1)
2.774(1)
Atom
C(1)
C(2),C(6)
C(3),C(5)
C(4)
C(7)
|as| [Å]
1.309
0.640
0.748
1.465
2.9754
θs
C(6)–C(1)–C(2)
C(1)–C(2)–C(3)
C(2)–C(3)–C(4)
C(3)–C(4)–C(5)
C(7)–C(4)–C(3)
G12
(effective symmetry class)
deg
122.2(1)
118.4(1)
121.3(1)
118.3(1)
120.9(1)
|bs| [Å]
0.0
1.211
1.200
0.0
0.0
The barrier V6 to internal rotation was redetermined to be 57.777 J mol–1.
Rottstegge, J., Hartwig, H., Dreizler, H.: J. Mol. Struct. 478 (1999) 37.
Landolt-Börnstein
New Series II/28D
CH3
F