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=CO | C3H3NO | Oxazole | 108.10 | |
aC=CO | C3H2O3 | vinylene carbonate | 108.67 | |
aC=CO | C3H3NO | Isoxazole | 110.60 | |
aC=CO | C4H4O | Furan | 110.70 | |
aC=CO | C4H5NO | Isoxazole, 5-methyl- | 110.70 | !assumed |
aC=CO | C4H5NO | 3-Methylisoxazole | 110.70 | !assumed |
aC=CO | CH2CHOCHCH2 | Vinyl ether | 119.00 | |
aC=CO | C5H8O | 2H-Pyran, 3,4-dihydro- | 123.40 | !assumed |
aC=CO | CH2C(CH3)OCH3 | 1-Propene, 2-methoxy- | 125.80 | |
Average | 114.19 | ±6.71 | ||
Min | 108.10 | |||
Max | 125.80 |