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 | ||||||||||||||||||||||||||||||||||||||||
-0.120 | -0.100 | -0.080 | -0.060 | -0.040 | -0.020 | -0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HNO2 | Nitrous acid | -0.100 |
Most positive difference | NO3 | Nitrogen trioxide | 0.104 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HNO2 | Nitrous acid | 1.442 | -0.100 |
FNO3 | Fluorine nitrate | 1.507 | -0.088 |
C2H5NO3 | Nitric acid, ethyl ester | 1.407 | -0.083 |
CH3ONO | Methyl nitrite | 1.398 | -0.077 |
CH3NO3 | Methyl nitrate | 1.402 | -0.076 |
HNO3 | Nitric acid | 1.406 | -0.074 |
NH2OH | hydroxylamine | 1.453 | -0.057 |
C2H3NO | Nitrosoethylene | 1.220 | -0.048 |
BrNO | Nitrosyl bromide | 1.146 | -0.047 |
N2O3 | Dinitrogen trioxide | 1.217 | -0.047 |
C2H2N2O | Furazan | 1.373 | -0.046 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | -0.045 |
ClNO2 | Nitryl chloride | 1.202 | -0.044 |
HNO | Nitrosyl hydride | 1.209 | -0.044 |
CH2NOH | formaldoxime | 1.408 | -0.043 |
N2O3 | Dinitrogen trioxide | 1.142 | -0.043 |
CH3NO | nitrosomethane | 1.211 | -0.043 |
CH3NO2 | Methane, nitro- | 1.224 | -0.040 |
NO2 | Nitrogen dioxide | 1.193 | -0.039 |
NO | Nitric oxide | 1.154 | -0.039 |
ClNO | Nitrosyl chloride | 1.139 | -0.038 |
CH3CHNOH | Acetaldoxime | 1.408 | -0.036 |
HNO3 | Nitric acid | 1.199 | -0.036 |
C2H5NO3 | Nitric acid, ethyl ester | 1.215 | -0.035 |
C6H5NO2 | Nitrobenzene | 1.223 | -0.035 |
N2O4 | Dinitrogen tetroxide | 1.190 | -0.034 |
C4H5NO | 3-Methylisoxazole | 1.403 | -0.034 |
C4H5NO | Isoxazole, 5-methyl- | 1.403 | -0.033 |
FNO3 | Fluorine nitrate | 1.184 | -0.033 |
N2O3 | Dinitrogen trioxide | 1.202 | -0.032 |
C2H6N2O2 | Dimethylnitroamine | 1.223 | -0.032 |
HNO3 | Nitric acid | 1.211 | -0.031 |
CH3NO3 | Methyl nitrate | 1.208 | -0.031 |
CH3ONO | Methyl nitrite | 1.182 | -0.029 |
CH3CH(CH3)ONO | Isopropyl nitrite | 1.170 | -0.028 |
HNO2 | Nitrous acid | 1.169 | -0.027 |
FNO2 | Nitryl fluoride | 1.180 | -0.025 |
FNO | Nitrosyl fluoride | 1.136 | -0.023 |
CH3NO3 | Methyl nitrate | 1.205 | -0.022 |
N2O | Nitrous oxide | 1.184 | -0.016 |
F3NO | Nitrogen trifluoride oxide | 1.158 | -0.016 |
NO- | nitric oxide anion | 1.258 | -0.010 |
HCNO | fulminic acid | 1.199 | -0.009 |
NO+ | nitric oxide cation | 1.066 | 0.076 |
NO3 | Nitrogen trioxide | 1.238 | 0.104 |