Structure Data of Free Polyatomic Molecules
516
MW
C 4H 4S 2
1,2-Dithiin
C2
S
rs
S–S
S–C
C=C
C–C
Atom
S(1)
S(2)
C(3)
C(6)
C(4)
C(5)
Å
2.051(3)
1.759(4)
1.353(3)
1.451(4)
as [Å]
0.956
0.956
–0.594
–0.594
–1.6768
–1.6768
θs
S–S–C
S–C=C
C=C–C
S–S–C=C a)
S–C=C–C a)
C=C–C=C a)
C–S–S–C a)
bs [Å]
–0.969
0.969
1.478
–1.478
0.668
–0.668
deg
98.7(2)
121.4(2)
124.2(2)
41.2
–0.3
29.0
53.9
S
cs [Å]
–0.337
0.337
–0.320
0.320
–0.282
0.282
The molecule has a twisted conformation about the S–S bond.
a
) Dihedral angle. Dependent parameters.
Gillies, J.Z., Gillies, C.W., Cotter, E.A., Block, E., DeOrazio, R.: J. Mol. Spectrosc. 180
(1996) 139.
Replaces II/25C (3, 1571)
Landolt-Börnstein
New Series II/28C