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Listing of experimental geometry data for C5H6S (Thiophene, 3-methyl-)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C5H6S (Thiophene, 3-methyl-).

Point Group Cs

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 1.714 4 7 1976Hellwege(II/7) !assumed
rCC 1.370 2 6 1976Hellwege(II/7) !assumed
rCC 1.423 2 3 1976Hellwege(II/7) !assumed, between 2=
rCH 1.090 1 2 1976Hellwege(II/7) !assumed, in ring
rCH 1.081 8 11 1976Hellwege(II/7) !assumed, on methyl
rCC 1.530 3 11 1976Hellwege(II/7)
aCSC 92.2 4 7 6 1976Hellwege(II/7) !assumed
aCCS 111.5 2 6 7 1976Hellwege(II/7) !assumed
aCCC 112.45 3 2 6 1976Hellwege(II/7) !assumed
aHCS 119.85 5 6 7 1976Hellwege(II/7) !assumed
aHCH 109.5 8 11 9 1976Hellwege(II/7) !assumed
aCCC 123 2 3 11 1976Hellwege(II/7) towards methyl
picture of Thiophene, 3-methyl-

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 6
C-C 2
C=C 2
C-S 2
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C5H6S (Thiophene, 3-methyl-).
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.  

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