National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities
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IV.D.4. (XII.A.2.)

Compare Experimental Geometries - experimental data

Species Name
C5H11N Piperidine
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rNH 1.015 1987Kuchitsu(II/15) !assumed 8 9   
rCH 1.105 1987Kuchitsu(II/15)   1 2   
rCN 1.472 1987Kuchitsu(II/15)   6 8   
rCC 1.531 1987Kuchitsu(II/15)   1 4   
aHCH 112.2 1987Kuchitsu(II/15)   2 1 3  
aCNC 109.8 1987Kuchitsu(II/15)   6 8 7  
aCCC 112.8 1987Kuchitsu(II/15) opposite N 4 1 5  
aCCN 110.5 1987Kuchitsu(II/15)   4 7 8  
aCCC 109.3 1987Kuchitsu(II/15) from C next to N 1 4 7  

picture of magnesium sulfide
References
squibreference
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.