Table 3.
Atom-pair distances and angles of H-bond framework from HFS analysis.
| S.No. | H-bond framework | H-bond length∗ (Å) | Angle (o) of H-bond framework |
|---|---|---|---|
| 1 | N7…H25–O14 | 1.846 | 154.8 |
| 2 | N3…H18–N10 | 2.092 | 165.5 |
| 3 | N10–H18…N3 | 2.092 | 165.5 |
| 4 | N10–H17…O14 | 2.198 | 154.1 |
| 5 | C12–O14…H17 | 2.198 | 139.0 |
| 6 | N7…H16–C8 | 2.418 | 145.7 |
| 7 | C12–O14…H16 | 2.516 | 145.3 |
| 8 | N1…H19–C11 | 2.567 | 152.2 |
| 9 | C12–O14…H21 | 2.603 | 154.1 |
Van der Waals radii summation of H (1.17) and O (1.40)→2.57 Å & H (1.17) and N (1.50)→2.67 Å [38].