return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Experimental Geometries - experimental data

Species Name
C2H8N2 Ethylenediamine
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
rCC 1.545 1976Hellwege(II/7)   1 2   
rCN 1.469 1976Hellwege(II/7)   1 3   
rCH 1.109 1976Hellwege(II/7)   1 11   
aCCN 110.2 1976Hellwege(II/7)   1 2 4  
aHCC 119.9 1976Hellwege(II/7)   1 2 9  
aHCH 112.7 1976Hellwege(II/7)   11 1 12  
dNCCN 64.0 1976Hellwege(II/7)   3 1 2 4

picture of
References
squibreference
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.