Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
G3
9 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
7 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.233 | 0.117 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.071 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.581 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.172 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.094 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.071 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.215 | 1 | 2 |
N2H2 | (E)-diazene | 1.216 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.139 | 1 | 2 |
H2NN | Isodiazene | 1.215 | 1 | 2 |
N2H4 | Hydrazine | 1.413 | 1 | 2 |
N2H4+ | hydrazine cation | 1.293 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.428 | 1 | 2 |
CNN | Diazocarbene | 1.240 | 2 | 3 |
N3 | azide radical | 1.159 | 1 | 2 |
1.159 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.249 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.208 | 1 | 2 |
N2O | Nitrous oxide | 1.092 | 1 | 2 |
NNS | Nitrogen sulfide | 1.086 | 1 | 2 |
HN3 | hydrogen azide | 1.238 | 1 | 2 |
1.099 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.310 | 1 | 2 |
1.096 | 2 | 3 | ||
NNOH+ | Nitrous Oxide, O-protonated | 1.074 | 1 | 2 |
HNNO+ | Nitrous oxide, N-protonated | 1.106 | 1 | 2 |
CH2N2 | diazirine | 1.194 | 2 | 3 |
NH2NN+ | hydrazoic acid, protonated | 1.078 | 1 | 2 |
1.308 | 1 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.156 | 1 | 2 |
1.156 | 1 | 3 | ||
NH2NO | Nitrosamide | 1.317 | 2 | 3 |
ONNO | NO dimer | 1.508 | 1 | 2 |
NH2NO2 | nitramide | 1.356 | 1 | 2 |
CH3N3 | methyl azide | 1.220 | 2 | 3 |
1.104 | 3 | 4 | ||
CH3NHN2+ | methyl azide, protonated | 1.273 | 2 | 3 |
1.084 | 3 | 4 | ||
CH3NNCH3 | (Z)-1,2-Dimethyldiazene | 1.213 | 1 | 2 |
CH3NNCH3 | (E)-1,2-Dimethyldiazene | 1.212 | 1 | 2 |
CH3NHNHCH3 | dimethyl hydrazine | 1.404 | 1 | 2 |
CH2N4 | 1H-Tetrazole | 1.326 | 2 | 3 |
1.252 | 3 | 4 | ||
1.341 | 4 | 5 | ||
N2O4 | Dinitrogen tetroxide | 1.581 | 1 | 2 |
C2H2N4 | sym-tetrazine | 1.291 | 3 | 6 |
1.291 | 4 | 5 | ||
CH3N5 | 5-Aminotetrazole | 1.343 | 3 | 4 |
1.245 | 4 | 5 | ||
1.345 | 5 | 6 | ||
C12H10N2 | azobenzene | 1.220 | 1 | 2 |