8WO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | N1 | sing | 1.46Å | 1.45Å | |
N1 | C2 | sing | 1.47Å | 1.33Å | |
N1 | C1 | sing | 1.37Å | 1.33Å | |
C2 | C3 | sing | 1.51Å | 1.38Å | |
N2 | C6 | sing | 1.35Å | 1.38Å | |
O2 | C1 | sing | 1.35Å | 1.38Å | |
O2 | C7 | sing | 1.43Å | 1.42Å | |
C1 | C5 | doub | 1.37Å | 1.38Å | |
C3 | C6 | sing | 1.40Å | 1.48Å | |
C3 | C4 | doub | 1.36Å | 1.38Å | |
C6 | O1 | doub | 1.22Å | 1.23Å | |
C5 | C4 | sing | 1.40Å | 1.37Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
N2 | H10 | sing | 0.97Å | 1.00Å | |
N2 | H11 | sing | 0.97Å | 1.00Å | |
C2 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | N1 | C2 | 119.1° | 120.4° |
C8 | N1 | C1 | 119.6° | 120.5° |
N1 | C8 | H4 | 109.5° | 109.5° |
N1 | C8 | H5 | 109.5° | 109.5° |
N1 | C8 | H6 | 109.4° | 109.5° |
C2 | N1 | C1 | 121.3° | 119.1° |
N1 | C2 | C3 | 119.3° | 109.2° |
N1 | C2 | H3 | 106.9° | 109.5° |
N1 | C2 | H12 | 107.0° | 109.5° |
N1 | C1 | O2 | 119.6° | 120.3° |
N1 | C1 | C5 | 120.7° | 119.4° |
C2 | C3 | C6 | 121.1° | 120.0° |
C2 | C3 | C4 | 121.0° | 120.0° |
C3 | C2 | H3 | 107.0° | 109.5° |
C3 | C2 | H12 | 106.9° | 109.5° |
N2 | C6 | C3 | 113.4° | 120.0° |
N2 | C6 | O1 | 127.1° | 120.0° |
C6 | N2 | H10 | 120.0° | 120.0° |
C6 | N2 | H11 | 120.0° | 120.0° |
C1 | O2 | C7 | 107.9° | 117.0° |
O2 | C1 | C5 | 119.7° | 120.3° |
O2 | C7 | H7 | 109.5° | 109.5° |
O2 | C7 | H8 | 109.5° | 109.5° |
O2 | C7 | H9 | 109.5° | 109.5° |
C1 | C5 | C4 | 119.8° | 120.3° |
C1 | C5 | H2 | 120.1° | 119.9° |
C6 | C3 | C4 | 118.0° | 120.0° |
C3 | C6 | O1 | 119.5° | 120.0° |
C3 | C4 | C5 | 117.9° | 120.7° |
C3 | C4 | H1 | 121.0° | 119.7° |
C5 | C4 | H1 | 121.0° | 119.6° |
C4 | C5 | H2 | 120.1° | 119.8° |
H3 | C2 | H12 | 109.5° | 109.5° |
H4 | C8 | H5 | 109.5° | 109.4° |
H4 | C8 | H6 | 109.5° | 109.5° |
H5 | C8 | H6 | 109.4° | 109.4° |
H7 | C7 | H8 | 109.4° | 109.5° |
H7 | C7 | H9 | 109.5° | 109.5° |
H8 | C7 | H9 | 109.5° | 109.5° |
H10 | N2 | H11 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | N1 | C2 | C1 | 179.7° | 179.8° |
C8 | N1 | C2 | C3 | 179.5° | 140.7° |
C8 | N1 | C1 | O2 | 0.2° | 30.3° |
C8 | N1 | C1 | C5 | 179.8° | 149.7° |
C8 | N1 | C2 | H3 | 59.1° | 99.4° |
N1 | C8 | H4 | H5 | 120.0° | 120.0° |
N1 | C8 | H4 | H6 | 120.0° | 120.0° |
N1 | C8 | H5 | H6 | 120.0° | 120.0° |
C8 | N1 | C2 | H12 | 58.1° | 20.8° |
N1 | C2 | C3 | H3 | 121.4° | 120.0° |
N1 | C2 | C3 | H12 | 121.4° | 119.9° |
C2 | N1 | C1 | O2 | 179.9° | 149.5° |
C2 | N1 | C1 | C5 | 0.1° | 30.5° |
N1 | C2 | C3 | C6 | 179.6° | 153.5° |
N1 | C2 | C3 | C4 | 0.3° | 26.6° |
N1 | C2 | H3 | H12 | 115.5° | 120.2° |
C2 | N1 | C8 | H4 | 180.0° | 95.1° |
C2 | N1 | C8 | H5 | 60.0° | 144.9° |
C2 | N1 | C8 | H6 | 60.0° | 24.9° |
C1 | N1 | C2 | C3 | 0.2° | 39.5° |
N1 | C1 | O2 | C5 | 180.0° | 180.0° |
N1 | C1 | O2 | C7 | 179.8° | 174.7° |
N1 | C1 | C5 | C4 | 0.4° | 4.7° |
N1 | C1 | C5 | H2 | 179.6° | 175.2° |
C1 | N1 | C2 | H3 | 121.2° | 80.4° |
C1 | N1 | C8 | H4 | 0.3° | 85.2° |
C1 | N1 | C8 | H5 | 119.7° | 34.8° |
C1 | N1 | C8 | H6 | 120.3° | 154.8° |
C1 | N1 | C2 | H12 | 121.6° | 159.4° |
C2 | C3 | C6 | N2 | 7.0° | 0.0° |
C2 | C3 | C6 | C4 | 179.3° | 180.0° |
C2 | C3 | C6 | O1 | 172.8° | 180.0° |
C2 | C3 | C4 | C5 | 0.0° | 4.5° |
C2 | C3 | C4 | H1 | 180.0° | 175.2° |
C3 | C2 | H3 | H12 | 115.5° | 120.1° |
N2 | C6 | C3 | O1 | 179.8° | 180.0° |
N2 | C6 | C3 | C4 | 173.7° | 180.0° |
C6 | N2 | H10 | H11 | 180.0° | 179.9° |
O2 | C1 | C5 | C4 | 179.6° | 175.4° |
O2 | C1 | C5 | H2 | 0.4° | 4.8° |
C1 | O2 | C7 | H7 | 180.0° | 175.1° |
C1 | O2 | C7 | H8 | 60.0° | 55.1° |
C1 | O2 | C7 | H9 | 60.0° | 64.9° |
C7 | O2 | C1 | C5 | 0.2° | 5.3° |
O2 | C7 | H7 | H8 | 120.0° | 120.0° |
O2 | C7 | H7 | H9 | 120.0° | 120.0° |
O2 | C7 | H8 | H9 | 120.0° | 120.0° |
C1 | C5 | C4 | C3 | 0.3° | 8.2° |
C1 | C5 | C4 | H2 | 180.0° | 179.9° |
C1 | C5 | C4 | H1 | 179.7° | 172.1° |
C6 | C3 | C4 | C5 | 179.3° | 175.5° |
C6 | C3 | C4 | H1 | 0.7° | 4.8° |
C6 | C3 | C2 | H3 | 58.2° | 86.6° |
C3 | C6 | N2 | H10 | 179.8° | 0.1° |
C3 | C6 | N2 | H11 | 0.2° | 180.0° |
C6 | C3 | C2 | H12 | 59.0° | 33.5° |
C4 | C3 | C6 | O1 | 6.5° | 0.0° |
C3 | C4 | C5 | H1 | 180.0° | 179.7° |
C3 | C4 | C5 | H2 | 179.6° | 171.9° |
C4 | C3 | C2 | H3 | 121.1° | 93.4° |
C4 | C3 | C2 | H12 | 121.7° | 146.5° |
O1 | C6 | N2 | H10 | 0.0° | 180.0° |
O1 | C6 | N2 | H11 | 180.0° | 0.1° |
H1 | C4 | C5 | H2 | 0.4° | 7.8° |
H4 | C8 | H5 | H6 | 120.0° | 120.0° |
H7 | C7 | H8 | H9 | 120.0° | 120.0° |