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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aHC=O | CH2CHCHO | Acrolein | 120.20 | |
aHC=O | CH3CH2CHO | Propanal | 120.50 | from symmetry |
aHC=O | CH2CHCHO | Acrolein | 121.30 | |
aHC=O | HCCCHO | 2-propynal | 122.10 | |
aHC=O | CHONH2 | formamide | 122.50 | |
aHC=O | HFCO | formyl fluoride | 127.30 | |
Average | 122.32 | ±2.60 | ||
Min | 120.20 | |||
Max | 127.30 |