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 |
---|---|---|---|---|
aHC:C | C6H5CH3 | toluene | 119.88 | |
aHC:C | C6H5CH3 | toluene | 119.88 | |
aHC:C | C6H5F | Fluorobenzene | 119.90 | |
aHC:C | C4H4N2 | Pyrazine | 119.96 | |
aHC:C | C6H5F | Fluorobenzene | 120.00 | |
aHC:C | C6H6 | Benzene | 120.00 | |
aHC:C | C6H4Cl2 | 1,4-dichlorobenzene | 120.00 | assumed |
aHC:C | C6H5CN | phenyl cyanide | 120.01 | |
aHC:C | C4H4N2 | Pyridazine | 120.30 | by symmetry |
aHC:C | C6H5CN | phenyl cyanide | 120.36 | |
aHC:C | C5H5N | Pyridine | 120.70 | by symmetry |
aHC:C | C4H4N2 | 1,3-Diazine | 120.90 | towards N |
aHC:C | C4H4N2 | 1,3-Diazine | 121.10 | by symmetry |
aHC:C | C4H4N2 | Pyridazine | 122.70 | to =C |
aHC:C | C4H4N2 | Pyridazine | 124.60 | from =C |
Average | 120.69 | ±1.31 | ||
Min | 119.88 | |||
Max | 124.60 |