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Compare Experimental Geometries - experimental data

Species Name
C4H6O2 2,3-Butanedione
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
rCO 1.214 1976Hellwege(II/7)   1 5   
rCC 1.507 1976Hellwege(II/7)   1 2   
rCH 1.114 1976Hellwege(II/7)   3 7   
aCCO 120.3 1976Hellwege(II/7)   1 2 6  
aCCC 116.3 1976Hellwege(II/7)   1 2 4  
aHCC 108.1 1976Hellwege(II/7)   1 3 7  
rCC 1.527 1976Hellwege(II/7)   1 3   

picture of
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.