Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-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 | NO | Nitric oxide | -0.010 |
Most positive difference | NO+ | nitric oxide cation | 0.468 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NO | Nitric oxide | 1.154 | -0.010 |
N2O | Nitrous oxide | 1.184 | 0.063 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | 0.075 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | 0.080 |
NH2OH | hydroxylamine | 1.453 | 0.086 |
HNO2 | Nitrous acid | 1.169 | 0.088 |
BrNO | Nitrosyl bromide | 1.146 | 0.090 |
FNO2 | Nitryl fluoride | 1.180 | 0.090 |
CH3NO2 | Methane, nitro- | 1.224 | 0.093 |
CH2NOH | formaldoxime | 1.408 | 0.104 |
CH3ONO | Methyl nitrite | 1.182 | 0.104 |
CH3NO | nitrosomethane | 1.211 | 0.109 |
HNO2 | Nitrous acid | 1.442 | 0.110 |
CH3ONO | Methyl nitrite | 1.398 | 0.114 |
NO2 | Nitrogen dioxide | 1.193 | 0.116 |
C2H2N2O | Furazan | 1.373 | 0.128 |
C2H5NO3 | Nitric acid, ethyl ester | 1.407 | 0.139 |
NO+ | nitric oxide cation | 1.066 | 0.468 |