Table 3.
Interaction | Bond Length/Interatomic Distance [Å] | ρ(r) | ∇2(r) | V(r) | G(r) | ε(r) | d [Å] |
---|---|---|---|---|---|---|---|
Fenamic acid…acridine | |||||||
O1–H1O | 1.0617 | 0.2637 | −1.4900 | −0.5182 | 0.0728 | 0.0148 | 0.0006 |
H1O∙∙∙N2 i | 1.5508 | 0.0789 | 0.0795 | −0.0792 | 0.0495 | 0.0291 | 0.0004 |
O2∙∙∙H27A ii | 2.4505 | 0.0088 | 0.0315 | −0.0051 | 0.0065 | 0.0542 | 0.0127 |
O2∙∙∙H25A ii | 2.7734 | 0.0048 | 0.0170 | −0.0028 | 0.0035 | 0.0884 | 0.0229 |
1 | |||||||
O1–H1O | 0.990(18) | 0.2659 | −1.5189 | −0.5191 | 0.0697 | 0.0156 | 0.0006 |
H1O∙∙∙N2 | 1.626(18) | 0.0731 | 0.0857 | −0.0718 | 0.0466 | 0.0337 | 0.0007 |
O2∙∙∙H22 | 2.860 | 0.0043 | 0.0162 | −0.0025 | 0.0033 | 0.2766 | 0.1311 |
2 | |||||||
O1–H1O | 1.021(19) | 0.2981 | −1.9274 | −0.6299 | 0.0740 | 0.0144 | 0.0004 |
H1O∙∙∙N2 | 1.597(19) | 0.0699 | 0.0992 | −0.0697 | 0.0472 | 0.0288 | 0.0002 |
O2∙∙∙H27 iii | 2.4288 | 0.0089 | 0.0328 | −0.0052 | 0.0067 | 0.0531 | 0.0132 |
H25∙∙∙O2 iii | 3.0584 | 0.0028 | 0.0108 | −0.0015 | 0.0021 | 0.3773 | 0.0381 |
3 | |||||||
O1∙∙∙H1O | 0.89(2) | 0.2705 | −1.5980 | −0.5406 | 0.0706 | 0.0147 | 0.0007 |
N2∙∙∙H1O | 1.72(2) | 0.0727 | 0.0851 | −0.0712 | 0.0462 | 0.0295 | 0.0001 |
O2∙∙∙H27 iv | 2.441 | 0.0068 | 0.0243 | −0.0040 | 0.0050 | 0.0529 | 0.0160 |
O2∙∙∙H25 iv | 3.098 | 0.0024 | 0.0094 | −0.0013 | 0.0018 | 0.3232 | 0.0388 |
Symbols: ρ(r)—electron density at the BCP (bond critical point); ∇2(r)—Laplacian electron density; V(r)—potential energy density; G(r)—kinetic energy; ε(r)—ellipticity of the electron density; d [Å]—the difference between the length of the bond path and the distance between the atoms linked by this bond.