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
CH3NO nitrosomethane
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
rNO 1.211 1978Tur/Cox:533-559   2 3   
rCN 1.482 1978Tur/Cox:533-559   1 2   
rCH 1.094 1978Tur/Cox:533-559 symmetric H 1 4   
rCH 1.092 1978Tur/Cox:533-559 out of plane 1 5   
aCNO 113.2 1978Tur/Cox:533-559   1 2 3  
aHCN 111.1 1978Tur/Cox:533-559   2 1 4  
aHCN 107.3 1978Tur/Cox:533-559 out of plane H 2 1 5  
aHCH 109.3 1978Tur/Cox:533-559 out of plane Hs 5 1 6  

picture of
1978Tur/Cox:533-559 PH Turner, AP Cox "Microwave spectrum, structure, dipole moment and centrifugal distortion of nitrosomethane. Dipole moment of acetaldehyde" J. Chem. Soc., Faraday Trans. 2, 1978,74, 533-559