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 |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3SSH | Hydrogen methyl disulfide | -0.008 |
Most positive difference | CS | carbon monosulfide | 0.012 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3SSH | Hydrogen methyl disulfide | 1.823 | -0.008 |
C2H6O2S | Dimethyl sulfone | 1.777 | 0.001 |
CH3SH | Methanethiol | 1.818 | 0.003 |
CH3CSNH2 | Ethanethioamide | 1.647 | 0.004 |
H2CS | Thioformaldehyde | 1.611 | 0.007 |
CS2 | Carbon disulfide | 1.554 | 0.007 |
C2H4S | Thiirane | 1.815 | 0.008 |
CH3CH2SH | ethanethiol | 1.820 | 0.010 |
OCS | Carbonyl sulfide | 1.560 | 0.010 |
CH2CS | Thioketene | 1.554 | 0.011 |
CS | carbon monosulfide | 1.535 | 0.012 |