PZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.44Å | |
| C5 | N | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| O | C8 | doub | 1.22Å | 1.31Å | |
| C7 | C8 | sing | 1.47Å | 1.48Å | |
| C7 | C9 | sing | 1.47Å | 1.44Å | Aromatic |
| C8 | O1 | sing | 1.35Å | 1.24Å | |
| C10 | C9 | doub | 1.34Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.7° | 120.1° |
| C2 | C1 | C | 118.9° | 120.1° |
| C2 | C1 | H9 | 120.6° | 119.9° |
| C1 | C2 | H10 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.7° | 119.9° |
| C3 | C2 | H10 | 119.6° | 119.9° |
| C2 | C3 | H11 | 120.1° | 120.1° |
| C1 | C | CL | 119.0° | 120.0° |
| C1 | C | C12 | 121.9° | 120.0° |
| C | C1 | H9 | 120.6° | 119.9° |
| C3 | C4 | C12 | 120.2° | 119.9° |
| C3 | C4 | N | 119.7° | 120.0° |
| C4 | C3 | H11 | 120.1° | 120.0° |
| C6 | C5 | N | 122.2° | 125.9° |
| C6 | C5 | C7 | 130.6° | 125.9° |
| C5 | C6 | H1 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| CL | C | C12 | 119.1° | 119.9° |
| C | C12 | C4 | 118.5° | 119.9° |
| C | C12 | H8 | 120.8° | 120.1° |
| C12 | C4 | N | 120.0° | 120.1° |
| C4 | C12 | H8 | 120.7° | 120.0° |
| C4 | N | C5 | 124.9° | 124.9° |
| C4 | N | C10 | 125.0° | 124.8° |
| N | C5 | C7 | 107.1° | 108.2° |
| C5 | N | C10 | 109.9° | 110.3° |
| C5 | C7 | C8 | 127.5° | 127.0° |
| C5 | C7 | C9 | 107.5° | 106.0° |
| N | C10 | C9 | 107.5° | 109.0° |
| N | C10 | C11 | 122.4° | 125.5° |
| O | C8 | C7 | 115.0° | 120.0° |
| O | C8 | O1 | 122.8° | 120.0° |
| C8 | C7 | C9 | 124.8° | 127.0° |
| C7 | C8 | O1 | 122.2° | 120.0° |
| C7 | C9 | C10 | 108.0° | 106.5° |
| C7 | C9 | H4 | 126.0° | 126.8° |
| C8 | O1 | H12 | 109.5° | 117.0° |
| C9 | C10 | C11 | 130.1° | 125.5° |
| C10 | C9 | H4 | 126.0° | 126.7° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H10 | 180.0° | 179.8° |
| C2 | C1 | C | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.4° |
| C2 | C1 | C | CL | 177.7° | 179.9° |
| C2 | C1 | C | C12 | 0.6° | 0.1° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.0° | 0.1° |
| C2 | C3 | C4 | H11 | 180.0° | 179.6° |
| C2 | C3 | C4 | C12 | 0.5° | 0.5° |
| C2 | C3 | C4 | N | 176.1° | 179.8° |
| C3 | C2 | C1 | H9 | 180.0° | 179.8° |
| C1 | C | CL | C12 | 178.4° | 180.0° |
| C1 | C | C12 | C4 | 1.0° | 0.0° |
| C1 | C | C12 | H8 | 179.0° | 180.0° |
| C | C1 | C2 | H10 | 180.0° | 179.9° |
| C3 | C4 | C12 | C | 1.0° | 0.2° |
| C3 | C4 | C12 | N | 176.6° | 179.7° |
| C3 | C4 | N | C5 | 107.9° | 64.8° |
| C3 | C4 | N | C10 | 65.9° | 115.3° |
| C3 | C4 | C12 | H8 | 179.1° | 179.7° |
| C4 | C3 | C2 | H10 | 180.0° | 179.8° |
| C6 | C5 | N | C4 | 5.5° | 0.3° |
| C6 | C5 | N | C7 | 179.0° | 179.7° |
| C6 | C5 | N | C10 | 180.0° | 179.7° |
| C6 | C5 | C7 | C8 | 5.4° | 0.2° |
| C6 | C5 | C7 | C9 | 179.4° | 179.7° |
| C5 | C6 | H1 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H3 | 120.0° | 120.0° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| CL | C | C12 | C4 | 177.3° | 180.0° |
| CL | C | C12 | H8 | 2.7° | 0.0° |
| CL | C | C1 | H9 | 2.3° | 0.0° |
| C | C12 | C4 | H8 | 180.0° | 180.0° |
| C | C12 | C4 | N | 175.6° | 180.0° |
| C12 | C | C1 | H9 | 179.4° | 180.0° |
| C12 | C4 | N | C5 | 68.7° | 115.0° |
| C12 | C4 | N | C10 | 117.5° | 65.0° |
| C12 | C4 | C3 | H11 | 179.6° | 179.9° |
| C4 | N | C5 | C10 | 174.6° | 180.0° |
| C4 | N | C5 | C7 | 173.5° | 180.0° |
| C4 | N | C10 | C9 | 173.4° | 180.0° |
| C4 | N | C10 | C11 | 7.4° | 0.0° |
| N | C4 | C12 | H8 | 4.3° | 0.0° |
| N | C4 | C3 | H11 | 3.8° | 0.2° |
| N | C5 | C7 | C8 | 175.8° | 180.0° |
| N | C5 | C7 | C9 | 0.6° | 0.0° |
| C5 | N | C10 | C9 | 1.1° | 0.0° |
| C5 | N | C10 | C11 | 178.0° | 180.0° |
| N | C5 | C6 | H1 | 90.6° | 90.0° |
| N | C5 | C6 | H2 | 149.4° | 150.0° |
| N | C5 | C6 | H3 | 29.5° | 30.0° |
| C7 | C5 | N | C10 | 1.1° | 0.0° |
| C5 | C7 | C8 | O | 7.1° | 0.0° |
| C5 | C7 | C8 | C9 | 174.4° | 180.0° |
| C5 | C7 | C8 | O1 | 171.7° | 180.0° |
| C5 | C7 | C9 | C10 | 0.1° | 0.0° |
| C7 | C5 | C6 | H1 | 90.8° | 89.7° |
| C7 | C5 | C6 | H2 | 29.3° | 30.3° |
| C7 | C5 | C6 | H3 | 149.2° | 150.3° |
| C5 | C7 | C9 | H4 | 179.9° | 180.0° |
| N | C10 | C9 | C7 | 0.7° | 0.0° |
| N | C10 | C9 | C11 | 179.1° | 180.0° |
| N | C10 | C9 | H4 | 179.2° | 180.0° |
| N | C10 | C11 | H5 | 90.5° | 90.0° |
| N | C10 | C11 | H6 | 149.5° | 30.0° |
| N | C10 | C11 | H7 | 29.5° | 149.9° |
| O | C8 | C7 | O1 | 178.8° | 180.0° |
| O | C8 | C7 | C9 | 167.4° | 180.0° |
| O | C8 | O1 | H12 | 0.0° | 0.0° |
| C8 | C7 | C9 | C10 | 175.3° | 180.0° |
| C8 | C7 | C9 | H4 | 4.8° | 0.0° |
| C7 | C8 | O1 | H12 | 178.7° | 180.0° |
| C9 | C7 | C8 | O1 | 13.8° | 0.0° |
| C7 | C9 | C10 | H4 | 180.0° | 180.0° |
| C7 | C9 | C10 | C11 | 178.3° | 180.0° |
| C9 | C10 | C11 | H5 | 90.6° | 90.0° |
| C9 | C10 | C11 | H6 | 29.4° | 150.1° |
| C9 | C10 | C11 | H7 | 149.4° | 30.1° |
| C11 | C10 | C9 | H4 | 1.7° | 0.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H9 | C1 | C2 | H10 | 0.0° | 0.0° |
| H10 | C2 | C3 | H11 | 0.0° | 0.2° |
