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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 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CN | Cyano radical | -0.049 |
Most positive difference | C2H2N2O | Furazan | 0.019 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CN | Cyano radical | 1.172 | -0.049 |
CH3NO | nitrosomethane | 1.482 | -0.012 |
CH3NH2 | methyl amine | 1.471 | -0.011 |
CH3NO2 | Methane, nitro- | 1.489 | -0.007 |
CH2NOH | formaldoxime | 1.276 | -0.002 |
CH2NH | Methanimine | 1.273 | 0.000 |
HNCNH | diiminomethane | 1.224 | 0.001 |
CHONH2 | formamide | 1.350 | 0.005 |
HCNO | fulminic acid | 1.168 | 0.006 |
HCN | Hydrogen cyanide | 1.156 | 0.008 |
CN- | cyanide anion | 1.177 | 0.010 |
ZnCN | Zinc monocyanide | 1.142 | 0.014 |
BrCN | Cyanogen bromide | 1.158 | 0.015 |
C2H5CN | ethyl cyanide | 1.153 | 0.015 |
C2N2 | Cyanogen | 1.154 | 0.019 |
C2H2N2O | Furazan | 1.303 | 0.019 |