Compare Experimental Geometries - experimental data
Species |
Name |
C2H5CN |
ethyl cyanide |
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 |
1.526 |
2008Dem/Mar:169-175 |
|
1 |
2 |
| |
rCC |
1.468 |
2008Dem/Mar:169-175 |
|
2 |
3 |
| |
rCN |
1.153 |
2008Dem/Mar:169-175 |
|
3 |
4 |
| |
rCH |
1.088 |
2008Dem/Mar:169-175 |
|
2 |
8 |
| |
rCH |
1.087 |
2008Dem/Mar:169-175 |
|
1 |
5 |
| |
aCCC |
111.7 |
2008Dem/Mar:169-175 |
|
1 |
2 |
3 |
|
aCCN |
178.8 |
2008Dem/Mar:169-175 |
fixed at calculated value |
2 |
3 |
4 |
|
aCCH |
111.1 |
2008Dem/Mar:169-175 |
|
1 |
2 |
8 |
|
aCCH |
109.8 |
2008Dem/Mar:169-175 |
|
2 |
1 |
5 |
|
aCCH |
110.8 |
2008Dem/Mar:169-175 |
|
2 |
1 |
6 |
|
dCCCH |
120.3 |
2008Dem/Mar:169-175 |
|
3 |
1 |
2 |
8 |
dCCCH |
60.2 |
2008Dem/Mar:169-175 |
|
3 |
2 |
1 |
6 |
References
squib | reference |
2008Dem/Mar:169-175
| J Demaison, L Margulès, H Mäder, M Sheng, HD Rudolph "Torsional barrier and equilibrium structure of ethyl cyanide" J. Mol. Spect. 252 (2008) 169–175 |