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 |
---|---|---|---|---|
rC=N | HNCS | Isothiocyanic acid | 1.207 | |
rC=N | CH3SO2NH2 | methanesulfonamide | 1.207 | |
rC=N | HNCO | Isocyanic acid | 1.214 | |
rC=N | HNCNH | diiminomethane | 1.224 | rs |
rC=N | CH2NH | Methanimine | 1.273 | |
rC=N | CH2NOH | formaldoxime | 1.276 | |
rC=N | CH3CHNOH | Acetaldoxime | 1.276 | !assumed |
rC=N | C3H3NO | Oxazole | 1.292 | |
rC=N | CH2NN | diazomethane | 1.300 | rs |
rC=N | C2H2N2S | 1,3,4-Thiadiazole | 1.303 | |
rC=N | C2H4O3 | trioxolane124 | 1.303 | |
rC=N | C2H2N2O | Furazan | 1.303 | |
rC=N | C2H3N3 | 1H-1,2,4-Triazole | 1.305 | dependent, single N to side with a NH |
rC=N | C3H3NO | Isoxazole | 1.309 | |
rC=N | C4H5NO | Isoxazole, 5-methyl- | 1.310 | !assumed |
rC=N | C4H5NO | 3-Methylisoxazole | 1.310 | !assumed |
rC=N | C3H4N2 | 1H-Imidazole | 1.314 | |
rC=N | C2H3N3 | 1H-1,2,4-Triazole | 1.329 | N has no H |
rC=N | C3H4N2 | 1H-Pyrazole | 1.332 | |
rC=N | C3H3N3 | 1,3,5-Triazine | 1.338 | |
Average | 1.286 | ±0.041 | ||
Min | 1.207 | |||
Max | 1.338 |