Conformer | BCP | Interaction | ρb | ∇2ρb | d (Å) |
---|---|---|---|---|---|
4a | A | C5-H···O=N | 0.019 | 0.070 | 2.197 |
4a | B | Ph-H···N=O | 0.015 | 0.050 | 2.337 |
4b | C | Ph-H···O=N | 0.024 | 0.087 | 2.029 |
5a | D | C5-H···O=C | 0.016 | 0.057 | 2.254 |
5a | E | Ph-H···H-CO | 0.009 | 0.029 | 2.302 |
5b | F | C5-H···H-CO | 0.012 | 0.043 | 2.027 |
5b | G | Ph-H···O=C | 0.021 | 0.076 | 2.092 |