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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aOC=O | CHOOCHO | diformyl ether | 120.59 | |
aOC=O | C4H2O3 | Maleic Anhydride | 122.60 | |
aOC=O | CH3COOH | Acetic acid | 123.00 | |
aOC=O | C4H8O2 | Ethyl acetate | 124.00 | |
aOC=O | HCOOH | Formic acid | 124.90 | |
aOC=O | C2H2O4 | Oxalic Acid | 125.00 | |
aOC=O | CH3OCHO | methyl formate | 125.90 | |
aOC=O | CHOOCHO | diformyl ether | 126.12 | |
Average | 124.01 | ±1.87 | ||
Min | 120.59 | |||
Max | 126.12 |