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 |
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 |
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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By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
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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