National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
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XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.3. (XII.A.3.)

List of experimental bond lengths for bond type rN=O

Bond lengths in Å.
Click on an entry for more experimental geometry data.
bond type Species Name Length Comment
rN=O NO+ nitric oxide cation 1.066 r0
rN=O FNO Nitrosyl fluoride 1.136
rN=O ClNO Nitrosyl chloride 1.139
rN=O N2O3 Dinitrogen trioxide 1.142 NO end
rN=O BrNO Nitrosyl bromide 1.146
rN=O NO Nitric oxide 1.154 r0
rN=O F3NO Nitrogen trifluoride oxide 1.158
rN=O ONNO NO dimer 1.161
rN=O HNO2 Nitrous acid 1.169
rN=O CH3CH(CH3)ONO Isopropyl nitrite 1.170
rN=O FNO2 Nitryl fluoride 1.180 rs
rN=O CH3ONO Methyl nitrite 1.182 cis structure
rN=O FNO3 Fluorine nitrate 1.184
rN=O N2O4 Dinitrogen tetroxide 1.190
rN=O NO2 Nitrogen dioxide 1.193
rN=O HNO3 Nitric acid 1.199
rN=O HCNO fulminic acid 1.199
rN=O ClNO2 Nitryl chloride 1.202
rN=O N2O3 Dinitrogen trioxide 1.202 NO2 end cis to NO
rN=O CH3NO3 Methyl nitrate 1.205
rN=O CH3NO3 Methyl nitrate 1.208
rN=O HNO Nitrosyl hydride 1.209
rN=O HNO3 Nitric acid 1.211
rN=O CH3NO nitrosomethane 1.211
rN=O N2O3 Dinitrogen trioxide 1.217 NO2 end trans to NO
rN=O C2H3NO Nitrosoethylene 1.220
rN=O C2H6N2O2 Dimethylnitroamine 1.223
rN=O C6H5NO2 Nitrobenzene 1.223
rN=O CH3NO2 Methane, nitro- 1.224
rN=O NO- nitric oxide anion 1.258 re
 
Average 1.186 ±0.038
Min 1.066
Max 1.258