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

Listing of experimental geometry data for C5H11N (Piperidine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.15068 0.14801 0.08482
0.14992 0.14661 0.08458
Rotational Constants from 1981Par/Buc:465
Calculated rotational constants for C5H11N (Piperidine).

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
rNH 1.015 8 9 1987Kuchitsu(II/15) !assumed
rCH 1.105 1 2 1987Kuchitsu(II/15)
rCN 1.472 6 8 1987Kuchitsu(II/15)
rCC 1.531 1 4 1987Kuchitsu(II/15)
aHCH 112.2 2 1 3 1987Kuchitsu(II/15)
aCNC 109.8 6 8 7 1987Kuchitsu(II/15)
aCCC 112.8 4 1 5 1987Kuchitsu(II/15) opposite N
aCCN 110.5 4 7 8 1987Kuchitsu(II/15)
aCCC 109.3 1 4 7 1987Kuchitsu(II/15) from C next to N
picture of Piperidine

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
H-N 1
C-C 4
C-N 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C5H11N (Piperidine).


References
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squib reference DOI
1981Par/Buc:465 JE Parkin, PJ Buckley, CC Costain "The Micorwave Spectrum of Piperidine: Equatorial and Axial Ground States" J. Mol. Spec. 89, 465-483 (1981) 10.1016/0022-2852(81)90040-0
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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