Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.050 | 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 | N2H2 | (E)-diazene | 0.101 |
Most positive difference | C2H6N2O2 | Dimethylnitroamine | 0.304 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
N2H2 | (E)-diazene | 1.252 | 0.101 |
N2 | Nitrogen diatomic | 1.098 | 0.102 |
CH2NN | diazomethane | 1.139 | 0.102 |
C3H4N2 | 1H-Pyrazole | 1.351 | 0.103 |
HN3 | hydrogen azide | 1.133 | 0.108 |
N3 | azide radical | 1.181 | 0.110 |
N2O3 | Dinitrogen trioxide | 1.864 | 0.112 |
N2O | Nitrous oxide | 1.128 | 0.118 |
CH2N2 | diazirine | 1.228 | 0.134 |
N2H4 | Hydrazine | 1.446 | 0.144 |
N2F2 | (Z)-Difluorodiazene | 1.214 | 0.177 |
N2O4 | Dinitrogen tetroxide | 1.782 | 0.236 |
C2H6N2O2 | Dimethylnitroamine | 1.382 | 0.304 |