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Compare Experimental Geometries - experimental data

Species Name
C3H2N2 Malononitrile
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 1.459 1990Ran/Cox:1981 average structure 1 2   
rCN 1.160 1990Ran/Cox:1981   2 6   
rCH 1.109 1990Ran/Cox:1981   1 4   
aCCN 178.6    1 2 6  
aCCC 112.5 1990Ran/Cox:1981   2 1 3  
aHCH 106.9 1990Ran/Cox:1981   4 1 5  
aHCC 109.3 1990Ran/Cox:1981 by symmetry 2 1 4  

picture of
1990Ran/Cox:1981 J Randell, AP Cox, I Merke, H Dreizler, "Dicyanomethane: Microwave spectrum, Quadrupole Coupling and Sturcture" J. Chem. Soc. Farad. Trans. 1990, 86(11), 1981-1989