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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aCCN | C4H9N | Pyrrolidine | 104.60 | dependent |
aCCN | CH3CH(NH2)COOH | Alanine | 110.10 | |
aCCN | C2H8N2 | Ethylenediamine | 110.20 | |
aCCN | C5H11N | Piperidine | 110.50 | |
aCCN | H2NCH2COOH | Glycine | 113.00 | |
aCCN | CH3CSNH2 | Ethanethioamide | 114.80 | |
aCCN | CH3CH2NH2 | Ethylamine | 115.00 | |
aCCN | CH3CONH2 | Acetamide | 115.10 | |
aCCN | C4H4N2O2 | Uracil | 115.50 | |
Average | 112.09 | ±3.60 | ||
Min | 104.60 | |||
Max | 115.50 |