Table 5.
BCP | ρ(r) | ∇2ρ(r) | G (r) | V (r) | H (r) | EH…Y | Dinter |
---|---|---|---|---|---|---|---|
Compound 1 | |||||||
Cl3⋯H17 | 0.0098 | 0.0031 | 0.0062 | −0.0046 | 0.0108 | 1.44 | 2.279 |
Cl3⋯H4 | 0.0094 | 0.0325 | 0.0064 | −0.0046 | 0.0110 | 1.44 | 2.699 |
Cl3⋯H12A | 0.0133 | 0.0469 | 0.0093 | −0.0069 | 0.0162 | 2.16 | 2.504 |
Cl1⋯H12B | 0.0189 | 0.0661 | 0.0139 | −0.0114 | 0.0253 | 3.58 | 2.334 |
Cl1⋯H6 | 0.0113 | 0.0379 | 0.0075 | −0.0056 | 0.0131 | 1.76 | 2.603 |
Cl1⋯H9C | 0.0072 | 0.0217 | 0.0044 | −0.0034 | 0.0078 | 1.07 | 2.933 |
Cl3⋯H26A | 0.0204 | 0.0686 | 0.0151 | −0.0130 | 0.0281 | 4.08 | 2.279 |
O25⋯H26B | 0.0213 | 0.0885 | 0.0189 | −0.0158 | 0.0347 | 4.96 | 2.002 |
Cl1⋯H25A | 0.0126 | 0.0428 | 0.0085 | −0.0062 | 0.0147 | 1.95 | 2.505 |
O26⋯H25B | 0.0166 | 0.0644 | 0.0140 | −0.0119 | 0.0259 | 3.73 | 2.168 |
Cl2⋯H24 | 0.0062 | 0.0177 | 0.0036 | −0.0028 | 0.0064 | 0.88 | 2.951 |
Cl2⋯H14 | 0.0094 | 0.0290 | 0.0058 | −0.0044 | 0.0102 | 1.38 | 2.724 |
Compound 2 | |||||||
O2⋯H3A | 0.0056 | 0.0204 | 0.0043 | −0.0034 | 0.0077 | 1.07 | 2.019 |
O2⋯H10A | 0.0194 | 0.0906 | 0.0187 | −0.0147 | 0.0334 | 4.61 | 2.767 |
O6B⋯H8 | 0.0096 | 0.0362 | 0.0075 | −0.0060 | 0.0135 | 1.88 | 2.431 |
O2⋯H10B | 0.0071 | 0.0232 | 0.0050 | −0.0042 | 0.0092 | 1.32 | 2.587 |
O1⋯H3B | 0.0211 | 0.0966 | 0.0203 | −0.0165 | 0.0368 | 5.18 | 1.995 |
O5⋯H3 | 0.0193 | 0.0794 | 0.0167 | −0.0136 | 0.0303 | 4.27 | 2.049 |
O5⋯H4 | 0.0064 | 0.0211 | 0.0045 | −0.0038 | 0.0083 | 1.19 | 2.653 |
O4B⋯H3 | 0.0083 | 0.0304 | 0.0064 | −0.0052 | 0.0116 | 1.63 | 2.541 |