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 | Angle | Comment |
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aC=NO | C4H5NO | Isoxazole, 5-methyl- | 105.20 | !assumed |
aC=NO | C4H5NO | 3-Methylisoxazole | 105.20 | !assumed |
aC=NO | C3H3NO | Isoxazole | 105.30 | |
aC=NO | C2H2N2O | Furazan | 105.53 | |
aC=NO | CH3CHNOH | Acetaldoxime | 110.00 | !assumed |
aC=NO | CH2NOH | formaldoxime | 110.20 | |
aCN=O | C2H3NO | Nitrosoethylene | 112.65 | |
aCN=O | CH3NO | nitrosomethane | 113.16 | |
aCN=O | C6H5NO2 | Nitrobenzene | 117.30 | |
Average | 109.39 | ±4.40 | ||
Min | 105.20 | |||
Max | 117.30 |