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 | HNO | Nitrosyl hydride | -0.058 |
Most positive difference | HN3 | hydrogen azide | 0.030 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HNO | Nitrosyl hydride | 1.090 | -0.058 |
B3N3H6 | borazine | 1.050 | -0.056 |
CH3CH2NH2 | Ethylamine | 1.052 | -0.051 |
CH3CONH2 | Acetamide | 1.022 | -0.029 |
NH2CONH2 | Urea | 1.021 | -0.027 |
C4H9N | Pyrrolidine | 1.020 | -0.021 |
CH3NHCH3 | Dimethylamine | 1.019 | -0.020 |
NH2F | monofluoroamine | 1.023 | -0.020 |
CH3NH2 | methyl amine | 1.018 | -0.018 |
CH2NH | Methanimine | 1.023 | -0.017 |
C2H5N | Aziridine | 1.016 | -0.017 |
C5H11N | Piperidine | 1.015 | -0.016 |
N2H2 | (E)-diazene | 1.028 | -0.015 |
NH2OH | hydroxylamine | 1.016 | -0.015 |
N2H4 | Hydrazine | 1.016 | -0.015 |
H2NCH2COOH | Glycine | 1.014 | -0.014 |
NH | Imidogen | 1.036 | -0.013 |
NH2 | Amino radical | 1.024 | -0.012 |
NH3 | Ammonia | 1.012 | -0.011 |
C3H4N2 | 1H-Pyrazole | 1.002 | -0.011 |
C3H7N | Cyclopropylamine | 1.011 | -0.011 |
CHONH2 | formamide | 1.001 | -0.010 |
BH2NH2 | Boranamine | 1.004 | -0.010 |
NH2CN | cyanamide | 1.006 | -0.009 |
HNCNH | diiminomethane | 1.007 | -0.008 |
BH3NH3 | borane ammonia | 1.010 | -0.008 |
CHONH2 | formamide | 1.001 | -0.007 |
C4H5N | Pyrrole | 0.996 | -0.005 |
NH2CONH2 | Urea | 0.998 | -0.003 |
HNC | hydrogen isocyanide | 0.986 | -0.002 |
HNCO | Isocyanic acid | 0.995 | -0.001 |
HN3 | hydrogen azide | 0.975 | 0.030 |