Table 3.
The geometry of noncovalent interactions in complex 1.
| Hydrogen Bonds | ||||
|---|---|---|---|---|
| Donor–H···Acceptor | D–H (Å) | H···A (Å) | D···A (Å) | D–H···A (°) |
| O3–H3A···O7 iii | 0.84(1) | 1.801(28) | 2.625(37) | 166.46(4) |
| O12–H12A···O1 iv | 0.84(1) | 2.550(41) | 3.171(40) | 131.65(5) |
| O17–H17B···O9 | 0.87(1) | 2.574(14) | 3.208(30) | 130.56(4) |
| C5–H5···O16 i | 0.95(1) | 2.220(38) | 3.140(51) | 162.68(4) |
| C10–H10···O16 i | 0.95(1) | 2.489(38) | 3.310(47) | 144.71(5) |
| C12–H12···O1 | 0.95(1) | 2.542(41) | 3.012(42) | 110.73(4) |
| C12–H12···O17 | 0.95(1) | 2.926(38) | 3.409(51) | 112.79(3) |
| C12–H12···O12 A iv | 0.95(1) | 2.211(36) | 2.957(53) | 134.64(4) |
| C17–H17···O11 vi | 0.95(2) | 2.519(5) | 3.313(13) | 141.00(3) |
| C17–H17···O11 A vi | 0.95(2) | 2.699(41) | 3.278(36) | 119.81(3) |
| C18–H18···O2 vii | 0.95(2) | 2.901(10) | 3.496(23) | 121.81(3) |
| C19–H19···O7 ii | 0.95(1) | 2.483(20) | 3.346(22) | 150.44(6) |
| C25–H25···O17 viii | 0.95(1) | 2.639(36) | 3.336(38) | 130.62(5) |
| C26–H26···O9 ii | 0.95(1) | 2.467(36) | 2.948(25) | 111.30(4) |
| π···π interactions | ||||
| Cg···Cg (Å) | ||||
| Cg1···Cg2 | 4.043(24) | |||
Symmetry codes: i −x, 1 − y, 1 − z; ii 1 − x, 1 − y, 1 − z; iii 1 − x, 1 − y, −z; iv 1 − x, −y, 1 − z; v −x, −y, 1 − z; vi 1 − x, −y, 2 − z; vii x, y, 1 + z; viii x, 1 + y, z. Cg denotes the centre of gravity of the 6-membered pyridine ring.