Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.060 | -0.050 | -0.040 | -0.030 | -0.020 | -0.010 | -0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | N2H4 | Hydrazine | -0.056 |
Most positive difference | CH2N2 | diazirine | 0.025 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
N2H4 | Hydrazine | 1.446 | -0.056 |
C2H6N2O2 | Dimethylnitroamine | 1.382 | -0.020 |
N2F2 | (Z)-Difluorodiazene | 1.214 | 0.008 |
N2H2 | (E)-diazene | 1.252 | 0.009 |
N2O3 | Dinitrogen trioxide | 1.864 | 0.012 |
N3 | azide radical | 1.181 | 0.019 |
C3H4N2 | 1H-Pyrazole | 1.351 | 0.019 |
N2 | Nitrogen diatomic | 1.098 | 0.019 |
N2O | Nitrous oxide | 1.128 | 0.019 |
CH2NN | diazomethane | 1.139 | 0.022 |
HN3 | hydrogen azide | 1.133 | 0.022 |
N2O4 | Dinitrogen tetroxide | 1.782 | 0.023 |
CH2N2 | diazirine | 1.228 | 0.025 |