IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH3CSNH2 | Ethanethioamide | 114.8 | 113.8 | 1.0 |
CH3CH2NH2 | Ethylamine | 115.0 | 115.5 | -0.5 |
C2H5CN | ethyl cyanide | 178.8 | 179.3 | -0.5 |
C4H5N | Pyrrole | 107.7 | 107.9 | -0.2 |
C2H2N2O | Furazan | 108.9 | 107.9 | 1.0 |
C4H4N2 | Pyrazine | 122.2 | 122.2 | -0.0 |
CH(CN)3 | tricyanomethane | 177.0 | 178.9 | -1.9 |
CID/cc-pVDZ for aCCN
Histogram of angle differences (in degrees) vs number of species
Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH(CN)3 | tricyanomethane | -1.9 |
Most positive difference | CH3CSNH2 | Ethanethioamide | 1.0 |