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 |
---|---|---|---|---|
aHOC | C3H8O2 | 1,3-Propanediol | 97.00 | |
aHOC | C2H2O4 | Oxalic Acid | 104.40 | |
aHOC | C2H6O2 | 1,2-Ethanediol | 104.50 | !assumed |
aHOC | HOCH2COOH | Hydroxyacetic acid | 105.20 | |
aHOC | CH3CH2OH | Ethanol | 105.40 | |
aHOC | HOCH2COOH | Hydroxyacetic acid | 105.50 | |
aHOC | HCOOH | Formic acid | 106.30 | |
aHOC | CF3COOH | trifluoroacetic acid | 107.00 | assumed |
aHOC | C3H6O | 2-Propen-1-ol | 107.30 | |
aHOC | C4H10O | Ethanol, 1,1-dimethyl- | 108.00 | |
aHOC | C3H8O2 | Propylene glycol | 108.00 | |
aHOC | CH2CHOH | ethenol | 108.30 | |
aHOC | CH3OH | Methyl alcohol | 108.87 | |
aHOC | C6H5OH | phenol | 109.00 | |
aHOC | C3H8O2 | 1,3-Propanediol | 109.00 | O has H that hydrogen bonds |
aHOC | H2NCH2COOH | Glycine | 110.50 | |
aHO=C | HOCO+ | Hydrocarboxyl cation | 119.38 | |
Average | 107.27 | ±4.34 | ||
Min | 97.00 | |||
Max | 119.38 |