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II.A.3. (XII.A.1.)

Listing of experimental geometry data for C4H8S (Thiophene, tetrahydro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.20082 0.14590 0.09343
Rotational Constants from 1979Mam/Poz:949
Calculated rotational constants for C4H8S (Thiophene, tetrahydro-).

Point Group C2

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCS 1.835 3 13 1976Hellwege(II/7)
rCC 1.532 3 6 1976Hellwege(II/7)
rCH 1.117 1 3 1976Hellwege(II/7)
aCSC 93.4 3 13 12 1976Hellwege(II/7)
aCCS 106.1 6 3 13 1976Hellwege(II/7)
aCCC 105 3 6 9 1976Hellwege(II/7)
picture of Thiophene, tetrahydro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
C-C 3
C-S 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C4H8S (Thiophene, tetrahydro-).


References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  
1979Mam/Poz:949 AK Mamleev, NM Pozdeev "Structure of the ring in tetrahydrothiophene" J. Structural Chemistry, 20(6), 949-951, 1979 10.1007/BF00753209

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