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Compare Experimental Geometries - experimental data

Species Name
C4H4N2 Pyridazine
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 1.341 1987Kuchitsu(II/15)   3 10   
rCC 1.396 1987Kuchitsu(II/15)   1 4   
rCC 1.375 1987Kuchitsu(II/15)   1 2   
rCH 1.064 1987Kuchitsu(II/15) C away from N 1 5   
aCNN 119.3 1987Kuchitsu(II/15)   4 9 10  
aHCC 124.6 1987Kuchitsu(II/15) from =C 2 3 7  
aHCC 122.7 1987Kuchitsu(II/15) to =C 4 1 5  
aCCN 123.7 1987Kuchitsu(II/15)   1 4 9  
aCCC 117.0 1987Kuchitsu(II/15)   1 2 3  
aHCC 120.3 1987Kuchitsu(II/15) by symmetry 1 2 6  
aHCN 111.7 1987Kuchitsu(II/15) by symmetry 7 3 10  

picture of
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.