Hydrogen bond and intermolecular interaction geometries (Å, °) for compounds 4 and 5a.
| D–H⋯A | D–H | H⋯A | D⋯A | ∠D–H⋯A |
|---|---|---|---|---|
| 4 | ||||
| N00C–H00C⋯O003i | 0.860 | 1.9687 | 2.789 (1) | 159.14 |
| N00G–H00G⋯O004 | 0.860 | 1.915 | 2.775 (2) | 178.10 |
| O006–H00B⋯O005 | 0.850 | 1.9330 | 2.779 (1) | 173.59 |
| O006–H00D⋯O00I | 0.850 | 1.927 | 2.776 (2) | 176.20 |
| N00A–H00A⋯N00F | 0.860 | 2.329 | 2.901 (1) | 124.25 |
| N009–H009⋯N00B | 0.860 | 2.137 | 2.979 (1) | 165.99 |
| N008–H008⋯N00E | 0.860 | 2.188 | 3.042 (1) | 171.91 |
| N007–H007⋯N00D | 0.860 | 2.309 | 2.885 (2) | 124.58 |
| C01B–H01B⋯O006i | 0.930 | 2.561 | 3.413 (2) | 152.45 |
| C012–H012⋯C01Iii | 0.950 | 2.704 | 3.330 (2) | 123.95 |
| C01L–H01Q⋯π* | — | 2.999 | — | 126.02 |
| C00Y–H00Y⋯π* | — | 3.047 | — | 147.64 |
| C01L–H01P⋯π* | — | 3.260 | — | 110.84 |
| π⋯π* | — | — | 3.607 | — |
| π⋯π* | — | — | 3.668 | — |
| 5 | ||||
| N005–H00A⋯O003 | 0.890 | 1.938 | 2.818 | 170.0 |
| C006–H006⋯O002 | 0.930 | 2.542 | 3.040 (5) | 113.9 |
| C006–H006⋯O004 | 0.930 | 2.903 | 3.411 (6) | 115.7 |
| C007–H00E⋯C006 | 0.960 | 2.753 | 3.650 (7) | 155.7 |
| C007⋯C006 | — | — | 3.338 (8) | — |
| C007⋯C008 | — | — | 3.433 | — |
| O003⋯O004 | — | — | 3.128 | — |
| Cu01⋯O002 | — | — | 2.004 (4) | — |
| Cu01⋯O004 | — | — | 1.994 (3) | — |
| Cu01⋯O003 | — | — | 2.451 | — |
a
Symmetry transformations used to generate equivalent atoms for 4: (i) −x + 1, −y +2, −z +1; (ii) 
, 
, 
. *For π⋯π interactions d(D⋯A) = Cg⋯Cg and for C–H⋯π interactions d(H⋯A) = H⋯Cg, where Cg = centroid of the aromatic pyridine rings.