Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.055 | -0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HNO2 | Nitrous acid | -0.050 |
Most positive difference | FNO | Nitrosyl fluoride | 0.002 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HNO2 | Nitrous acid | 1.442 | -0.050 |
C2H5NO3 | Nitric acid, ethyl ester | 1.407 | -0.026 |
NH2OH | hydroxylamine | 1.453 | -0.025 |
N2O3 | Dinitrogen trioxide | 1.217 | -0.024 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | -0.022 |
NO | Nitric oxide | 1.154 | -0.021 |
CH2NOH | formaldoxime | 1.408 | -0.019 |
C2H2N2O | Furazan | 1.373 | -0.018 |
BrNO | Nitrosyl bromide | 1.146 | -0.016 |
CH3CHNOH | Acetaldoxime | 1.408 | -0.014 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | -0.013 |
CH3NO2 | Methane, nitro- | 1.224 | -0.012 |
CH3NO | nitrosomethane | 1.211 | -0.011 |
N2O3 | Dinitrogen trioxide | 1.202 | -0.010 |
ClNO | Nitrosyl chloride | 1.139 | -0.009 |
NO2 | Nitrogen dioxide | 1.193 | -0.009 |
N2O4 | Dinitrogen tetroxide | 1.190 | -0.007 |
HNO | Nitrosyl hydride | 1.209 | -0.007 |
NO+ | nitric oxide cation | 1.066 | -0.005 |
FNO2 | Nitryl fluoride | 1.180 | -0.004 |
N2O | Nitrous oxide | 1.184 | -0.004 |
HCNO | fulminic acid | 1.199 | -0.001 |
HNO2 | Nitrous acid | 1.169 | -0.000 |
NO- | nitric oxide anion | 1.258 | 0.001 |
N2O3 | Dinitrogen trioxide | 1.142 | 0.002 |
FNO | Nitrosyl fluoride | 1.136 | 0.002 |