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Release 22May 2022
NIST Standard Reference Database 101
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for C5H10S (2H-Thiopyran, tetrahydro-)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.13318 0.10026 0.06387
Rotational Constants from 1975Kit/Mal:179
Calculated rotational constants for C5H10S (2H-Thiopyran, tetrahydro-).

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
rCH 1.114 2 7 1992Kuchitsu(II/21) average
rCC 1.528 2 3 1992Kuchitsu(II/21) average
rCS 1.811 1 5 1992Kuchitsu(II/21)
aCSC 97.6 5 1 6 1992Kuchitsu(II/21)
aCCS 112.7 1 6 4 1992Kuchitsu(II/21)
aCCC 112.3 2 3 5 1992Kuchitsu(II/21) closer to S
aCCC 113.6 3 2 4 1992Kuchitsu(II/21)
aHCH 105.7 7 2 8 1992Kuchitsu(II/21)
dSCCC 60.8 1 5 3 2 1992Kuchitsu(II/21)
dCCCC -58.6 4 2 3 5 1992Kuchitsu(II/21)
dCSCC -55.4 5 1 6 4 1992Kuchitsu(II/21)
picture of 2H-Thiopyran, 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 10
C-C 4
C-S 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

 

Calculated geometries for C5H10S (2H-Thiopyran, tetrahydro-).
References
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squib reference DOI
1975Kit/Mal:179 RW Kitchin, TB Malloy, RL Cook "The Molecular Conformation and Dipole Moment of Thiane From the Microwave Spectrum" J. Mol. Spec. 57, 179-188, 1975 10.1016/0022-2852(75)90022-3
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

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