Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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bond type | Species | Name | Length | Comment |
---|---|---|---|---|
rCN | NH2CN | cyanamide | 1.347 | |
rCN | C2H3N3 | 1H-1,2,4-Triazole | 1.348 | side where N has no H |
rCN | CHONH2 | formamide | 1.350 | |
rCN | CH3CSNH2 | Ethanethioamide | 1.356 | |
rCN | C4H4N2O2 | Uracil | 1.358 | |
rCN | CHSNH2 | thioformamide | 1.358 | |
rCN | C3H4N2 | 1H-Pyrazole | 1.360 | |
rCN | C3H4N2 | 1H-Imidazole | 1.364 | to C inbetween 2 N |
rCN | HCONHCH3 | N-methylformamide | 1.366 | |
rCN | C4H5N | Pyrrole | 1.370 | |
rCN | C4H4N2O2 | Uracil | 1.371 | |
rCN | C4H4N2O2 | Uracil | 1.371 | |
rCN | C4H4N2O2 | Uracil | 1.376 | |
rCN | C2H3N3 | 1H-1,2,4-Triazole | 1.377 | both have H |
rCN | C3H4N2 | 1H-Imidazole | 1.377 | from =C to N with H |
rCN | NH2CONH2 | Urea | 1.378 | |
rCN | CH3CONH2 | Acetamide | 1.380 | |
rCN | C3H4N2 | 1H-Imidazole | 1.382 | from N w/o H |
rCN | C3H7NO | dimethylformamide | 1.391 | |
rCN | C3H3NO | Oxazole | 1.395 | |
rCN | CH3NC | methyl isocyanide | 1.426 | from CD3NC |
rCN | C3H7N | Cyclopropylamine | 1.428 | |
rCN | C6H5NH2 | aniline | 1.431 | |
rCN | C2H3NO | Nitrosoethylene | 1.439 | |
rCN | CH2NCH3 | N-methylmethanimine | 1.440 | assumed |
rCN | N(CH3)3 | Trimethylamine | 1.451 | |
rCN | C3H7NO | dimethylformamide | 1.453 | |
rCN | HCONHCH3 | N-methylformamide | 1.459 | |
rCN | C2H6N2O2 | Dimethylnitroamine | 1.460 | |
rCN | CH3NHCH3 | Dimethylamine | 1.462 | |
rCN | C4H9N | Pyrrolidine | 1.469 | |
rCN | H2NCH2COOH | Glycine | 1.469 | |
rCN | C2H8N2 | Ethylenediamine | 1.469 | |
rCN | CH3CH(NH2)COOH | Alanine | 1.471 | |
rCN | CH3NH2 | methyl amine | 1.471 | r0 |
rCN | C5H11N | Piperidine | 1.472 | |
rCN | C3H7N | Azetidine | 1.473 | |
rCN | C2H5N | Aziridine | 1.475 | |
rCN | CH3CH2NH2 | Ethylamine | 1.475 | |
rCN | CH2N2 | diazirine | 1.482 | |
rCN | CH3NO | nitrosomethane | 1.482 | |
rCN | C6H5NO2 | Nitrobenzene | 1.486 | |
rCN | CH3NO2 | Methane, nitro- | 1.489 | |
rCN | C(CH3)3NH2 | 2-Propanamine, 2-methyl- | 1.492 | |
Average | 1.420 | ±0.051 | ||
Min | 1.347 | |||
Max | 1.492 |