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

Listing of experimental geometry data for C6H10 (cyclohexene)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.15808 0.15159 0.08547
Rotational Constants from NISThydrocarbon
Calculated rotational constants for C6H10 (cyclohexene).

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
rCC 1.340 1 2 1976 Hellwege (II/7)
rCC 1.510 2 3 1976 Hellwege (II/7)
rCC 1.530 4 6 1976 Hellwege (II/7)
rCC 1.530 5 6 1976 Hellwege (II/7)
rCH 1.090 2 8 1976 Hellwege (II/7)
rCH 1.100 3 9 1976 Hellwege (II/7)
aCCC 123.3 1 2 3 1976 Hellwege (II/7)
aCCC 111.6 1 4 6 1976 Hellwege (II/7)
aCCC 110.3 4 6 5 1976 Hellwege (II/7)
aHCC 119.5 1 2 8 1976 Hellwege (II/7)
aHCC 109.9 3 5 15 1976 Hellwege (II/7)
aHCH 105.5 9 3 11 1976 Hellwege (II/7)
aHCH 106.9 13 5 15 1976 Hellwege (II/7)
picture of cyclohexene

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=C 1
C-C 5
H-C 10

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C6H10 (cyclohexene).


References
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squib reference DOI
NISThydrocarbon NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)  

Got a better number? Please email us at cccbdb@nist.gov


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