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Compare Experimental Geometries - experimental data

Species Name
C5H5N Pyridine
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
rCN 1.340 1966Herzberg   1 3   
rCC 1.390 1966Herzberg near CN bond 3 5   
rCC 1.400 1966Herzberg far from CN bond 2 5   
aHCC 120.7 1966Herzberg by symmetry 5 2 7  
aCNC 116.7 1966Herzberg   3 1 4  
aCCN 124.0 1966Herzberg   1 3 5  
aCCC 118.6 1966Herzberg   5 2 6  
aCCC 118.1 1966Herzberg   2 5 3  

picture of
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966