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 | C4N2 | 2-Butynedinitrile | 1.140 | |
rC#N | ZnCN | Zinc monocyanide | 1.142 | |
rC#N | C2H5CN | ethyl cyanide | 1.153 | |
rC#N | CF3CN | Acetonitrile, trifluoro- | 1.154 | |
rC#N | C2N2 | Cyanogen | 1.154 | |
rC#N | HCN | Hydrogen cyanide | 1.156 | |
rC#N | C5H7N | Cyclobutanecarbonitrile | 1.156 | |
rC#N | C4H5N | Cyclopropanecarbonitrile | 1.157 | |
rC#N | CH3CN | Acetonitrile | 1.157 | |
rC#N | BrCN | Cyanogen bromide | 1.158 | |
rC#N | CH(CN)3 | tricyanomethane | 1.158 | |
rC#N | C6H5CN | phenyl cyanide | 1.158 | |
rC#N | C5H9N | Pentanenitrile | 1.159 | |
rC#N | CH3CH(CH3)CN | Propanenitrile, 2-methyl- | 1.159 | !assumed |
rC#N | FCN | Cyanogen fluoride | 1.159 | |
rC#N | C5H9N | Propanenitrile, 2,2-dimethyl- | 1.159 | |
rC#N | NH2CN | cyanamide | 1.159 | |
rC#N | C3H2N2 | Malononitrile | 1.160 | |
rC#N | ICN | Cyanogen iodide | 1.160 | re |
rC#N | HCCCN | Cyanoacetylene | 1.161 | |
rC#N | ClCN | chlorocyanogen | 1.161 | re value |
rC#N | C4H4N2 | Succinonitrile | 1.161 | |
rC#N | C(CN)4 | tetracyanomethane | 1.161 | |
rC#N | C5H5N | Bicyclo[1.1.0]butane-1-carbonitrile | 1.162 | !assumed |
rC#N | C3H3N | acrylonitrile | 1.164 | |
rC#N | C4H5N | (E)-2-Butenenitrile | 1.164 | !assumed |
rC#N | CH3NC | methyl isocyanide | 1.166 | from CD3NC |
rC#N | HCNO | fulminic acid | 1.168 | |
rC#N | CN | Cyano radical | 1.172 | re |
rC#N | HNC | hydrogen isocyanide | 1.173 | |
rC#N | CN- | cyanide anion | 1.177 | re |
Average | 1.160 | ±0.007 | ||
Min | 1.140 | |||
Max | 1.177 |