W5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C10 | sing | 1.34Å | 1.39Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C8 | sing | 1.46Å | 1.35Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| F | C4 | sing | 1.35Å | 1.29Å | |
| C7 | N | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.37Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.40Å | |
| C3 | C2 | doub | 1.40Å | 1.34Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.53Å | |
| C2 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | O | doub | 1.22Å | 1.21Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N2 | C11 | 106.1° | 109.2° |
| N2 | C10 | C9 | 110.6° | 108.1° |
| N2 | C10 | H12 | 124.7° | 125.9° |
| N2 | C11 | N1 | 110.1° | 108.7° |
| N2 | C11 | H11 | 125.0° | 125.7° |
| C10 | C9 | N1 | 105.7° | 106.8° |
| C10 | C9 | H5 | 127.1° | 126.6° |
| C9 | C10 | H12 | 124.7° | 126.0° |
| C11 | N1 | C9 | 107.4° | 107.2° |
| C11 | N1 | C8 | 127.3° | 126.4° |
| N1 | C11 | H11 | 124.9° | 125.6° |
| C9 | N1 | C8 | 124.4° | 126.4° |
| N1 | C9 | H5 | 127.1° | 126.6° |
| N1 | C8 | C7 | 122.2° | 109.5° |
| N1 | C8 | H3 | 106.2° | 109.5° |
| N1 | C8 | H4 | 106.2° | 109.5° |
| C8 | C7 | N | 110.8° | 109.4° |
| C8 | C7 | H1 | 109.1° | 109.5° |
| C8 | C7 | H2 | 109.2° | 109.5° |
| C7 | C8 | H3 | 106.2° | 109.5° |
| C7 | C8 | H4 | 106.2° | 109.5° |
| F | C4 | C5 | 120.3° | 120.0° |
| F | C4 | C3 | 116.9° | 119.9° |
| C7 | N | C6 | 128.9° | 120.0° |
| N | C7 | H1 | 109.2° | 109.4° |
| N | C7 | H2 | 109.1° | 109.5° |
| C7 | N | H10 | 115.5° | 120.0° |
| C5 | C4 | C3 | 122.4° | 120.1° |
| C4 | C5 | C | 116.6° | 120.3° |
| C4 | C5 | H7 | 121.7° | 119.9° |
| C4 | C3 | C2 | 121.2° | 119.8° |
| C4 | C3 | H8 | 119.4° | 120.1° |
| C5 | C | C1 | 120.9° | 120.2° |
| C | C5 | H7 | 121.7° | 119.9° |
| C5 | C | H9 | 119.6° | 119.9° |
| N | C6 | C2 | 122.1° | 120.0° |
| N | C6 | O | 117.7° | 120.0° |
| C6 | N | H10 | 115.6° | 120.0° |
| C3 | C2 | C6 | 120.0° | 120.2° |
| C3 | C2 | C1 | 118.3° | 119.7° |
| C2 | C3 | H8 | 119.4° | 120.1° |
| C | C1 | C2 | 120.2° | 119.9° |
| C | C1 | H6 | 119.9° | 120.0° |
| C1 | C | H9 | 119.5° | 119.9° |
| C6 | C2 | C1 | 120.6° | 120.1° |
| C2 | C6 | O | 120.2° | 120.0° |
| C2 | C1 | H6 | 119.9° | 120.1° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C10 | C9 | H12 | 180.0° | 180.0° |
| C10 | N2 | C11 | N1 | 1.9° | 0.1° |
| N2 | C10 | C9 | N1 | 0.7° | 0.1° |
| N2 | C10 | C9 | H5 | 179.3° | 179.9° |
| C10 | N2 | C11 | H11 | 178.1° | 179.9° |
| C11 | N2 | C10 | C9 | 0.7° | 0.0° |
| N2 | C11 | N1 | H11 | 180.0° | 180.0° |
| N2 | C11 | N1 | C9 | 2.3° | 0.2° |
| N2 | C11 | N1 | C8 | 166.9° | 180.0° |
| C11 | N2 | C10 | H12 | 179.3° | 180.0° |
| C10 | C9 | N1 | C11 | 1.8° | 0.2° |
| C10 | C9 | N1 | H5 | 180.0° | 180.0° |
| C10 | C9 | N1 | C8 | 167.9° | 180.0° |
| C11 | N1 | C9 | C8 | 169.7° | 179.8° |
| C11 | N1 | C8 | C7 | 109.7° | 90.2° |
| C11 | N1 | C8 | H3 | 12.1° | 29.7° |
| C11 | N1 | C8 | H4 | 128.6° | 149.7° |
| C11 | N1 | C9 | H5 | 178.2° | 179.8° |
| C9 | N1 | C8 | C7 | 82.7° | 90.0° |
| C9 | N1 | C8 | H3 | 155.5° | 150.0° |
| C9 | N1 | C8 | H4 | 39.0° | 30.0° |
| C9 | N1 | C11 | H11 | 177.7° | 179.9° |
| N1 | C9 | C10 | H12 | 179.3° | 179.9° |
| N1 | C8 | C7 | H3 | 121.8° | 120.0° |
| N1 | C8 | C7 | H4 | 121.7° | 120.0° |
| N1 | C8 | C7 | N | 108.0° | 180.0° |
| N1 | C8 | C7 | H1 | 131.8° | 60.1° |
| N1 | C8 | C7 | H2 | 12.2° | 60.0° |
| N1 | C8 | H3 | H4 | 114.2° | 120.0° |
| C8 | N1 | C9 | H5 | 12.2° | 0.0° |
| C8 | N1 | C11 | H11 | 13.0° | 0.1° |
| C8 | C7 | N | H1 | 120.2° | 119.9° |
| C8 | C7 | N | H2 | 120.2° | 120.0° |
| C8 | C7 | N | C6 | 60.3° | 180.0° |
| C8 | C7 | H1 | H2 | 119.4° | 120.1° |
| C7 | C8 | H3 | H4 | 114.3° | 120.0° |
| C8 | C7 | N | H10 | 119.7° | 0.0° |
| F | C4 | C5 | C3 | 172.4° | 179.8° |
| F | C4 | C5 | C | 170.5° | 180.0° |
| F | C4 | C3 | C2 | 165.9° | 180.0° |
| F | C4 | C5 | H7 | 9.6° | 0.0° |
| F | C4 | C3 | H8 | 14.0° | 0.2° |
| C7 | N | C6 | H10 | 180.0° | 180.0° |
| C7 | N | C6 | C2 | 1.9° | 180.0° |
| C7 | N | C6 | O | 174.5° | 0.0° |
| N | C7 | H1 | H2 | 119.4° | 120.0° |
| N | C7 | C8 | H3 | 13.8° | 60.0° |
| N | C7 | C8 | H4 | 130.3° | 60.0° |
| C4 | C5 | C | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 6.7° | 0.2° |
| C4 | C5 | C | C1 | 1.8° | 0.0° |
| C5 | C4 | C3 | H8 | 173.3° | 180.0° |
| C4 | C5 | C | H9 | 178.2° | 180.0° |
| C3 | C4 | C5 | C | 1.9° | 0.3° |
| C4 | C3 | C2 | H8 | 180.0° | 179.8° |
| C4 | C3 | C2 | C6 | 160.9° | 180.0° |
| C4 | C3 | C2 | C1 | 7.3° | 0.0° |
| C3 | C4 | C5 | H7 | 178.0° | 179.8° |
| C5 | C | C1 | H9 | 180.0° | 179.9° |
| C5 | C | C1 | C2 | 1.0° | 0.2° |
| C5 | C | C1 | H6 | 179.0° | 179.9° |
| N | C6 | C2 | C3 | 9.0° | 180.0° |
| N | C6 | C2 | O | 176.3° | 180.0° |
| N | C6 | C2 | C1 | 159.0° | 0.0° |
| C6 | N | C7 | H1 | 59.9° | 60.0° |
| C6 | N | C7 | H2 | 179.5° | 60.0° |
| C3 | C2 | C1 | C | 3.6° | 0.3° |
| C3 | C2 | C6 | C1 | 168.0° | 179.9° |
| C3 | C2 | C6 | O | 174.7° | 0.0° |
| C3 | C2 | C1 | H6 | 176.4° | 180.0° |
| C | C1 | C2 | C6 | 164.6° | 179.8° |
| C | C1 | C2 | H6 | 180.0° | 179.7° |
| C1 | C | C5 | H7 | 178.2° | 180.0° |
| C6 | C2 | C1 | H6 | 15.4° | 0.1° |
| C6 | C2 | C3 | H8 | 19.1° | 0.2° |
| C2 | C6 | N | H10 | 178.1° | 0.1° |
| C1 | C2 | C6 | O | 17.3° | 180.0° |
| C1 | C2 | C3 | H8 | 172.7° | 179.7° |
| C2 | C1 | C | H9 | 179.0° | 179.7° |
| O | C6 | N | H10 | 5.5° | 180.0° |
| H1 | C7 | C8 | H3 | 106.4° | 179.9° |
| H1 | C7 | C8 | H4 | 10.1° | 59.9° |
| H1 | C7 | N | H10 | 120.1° | 119.9° |
| H2 | C7 | C8 | H3 | 134.0° | 60.0° |
| H2 | C7 | C8 | H4 | 109.5° | 180.0° |
| H2 | C7 | N | H10 | 0.5° | 120.0° |
| H5 | C9 | C10 | H12 | 0.7° | 0.1° |
| H6 | C1 | C | H9 | 1.0° | 0.0° |
| H7 | C5 | C | H9 | 1.8° | 0.1° |
