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Compare Experimental Geometries - experimental data

Species Name
CH2N2 diazirine
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
rNN 1.228 1962Pie/Dob:2651-2652   2 3   
rCN 1.482 1962Pie/Dob:2651-2652   1 2   
rCH 1.090 1962Pie/Dob:2651-2652   1 4   
aHCH 117.0 1962Pie/Dob:2651-2652   4 1 5  

picture of
1962Pie/Dob:2651-2652 L Pierce, V Dobyns "Molecular Structure, Dipole Moment, and Quadrupole Coupling Constants of Diazirine" J. Am. Chem. Soc. 84, 2651-2 (1962).