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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 |
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-0.050 | 0.000 | 0.050 | 0.100 | 0.150 | 0.200 | 0.250 | 0.300 | 0.350 | 0.400 | 0.450 | 0.500 | 0.550 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ICN | Cyanogen iodide | -0.006 |
Most positive difference | CH3SO2NH2 | methanesulfonamide | 0.548 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ICN | Cyanogen iodide | 1.160 | -0.006 |
CN- | cyanide anion | 1.177 | -0.005 |
CH2NN | diazomethane | 1.300 | -0.005 |
BrCN | Cyanogen bromide | 1.158 | -0.003 |
CH3NH2 | methyl amine | 1.471 | -0.003 |
CH3CH2NH2 | Ethylamine | 1.475 | -0.001 |
CH(CN)3 | tricyanomethane | 1.158 | -0.001 |
CH2NH | Methanimine | 1.273 | 0.003 |
NH2CN | cyanamide | 1.159 | 0.004 |
HNC | hydrogen isocyanide | 1.173 | 0.005 |
CHSNH2 | thioformamide | 1.358 | 0.006 |
C2H5CN | ethyl cyanide | 1.153 | 0.006 |
CH2N2 | diazirine | 1.482 | 0.010 |
C2H2N2O | Furazan | 1.303 | 0.018 |
CH3CSNH2 | Ethanethioamide | 1.356 | 0.024 |
CH3NO2 | Methane, nitro- | 1.489 | 0.025 |
HNCNH | diiminomethane | 1.224 | 0.026 |
C4H5N | Pyrrole | 1.370 | 0.027 |
NH2CN | cyanamide | 1.347 | 0.044 |
CH3SO2NH2 | methanesulfonamide | 1.207 | 0.548 |