V8L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.32Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.34Å | Aromatic |
C7 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.34Å | Aromatic |
C2 | N1 | sing | 1.40Å | 1.43Å | |
N1 | N | sing | 1.40Å | 1.32Å | |
N | C1 | sing | 1.35Å | 1.36Å | |
O | C1 | doub | 1.21Å | 1.14Å | |
C1 | C | sing | 1.51Å | 1.49Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C7 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C4 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.08Å | 1.08Å | |
C | H7 | sing | 1.09Å | 1.10Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
N | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | C4 | 120.7° | 120.2° |
C5 | C6 | C7 | 119.8° | 120.0° |
C6 | C5 | H3 | 119.6° | 119.9° |
C5 | C6 | H4 | 120.1° | 120.0° |
C5 | C4 | C3 | 120.1° | 120.1° |
C4 | C5 | H3 | 119.7° | 119.9° |
C5 | C4 | H5 | 119.9° | 119.9° |
C6 | C7 | C2 | 119.6° | 120.0° |
C6 | C7 | H2 | 120.2° | 120.0° |
C7 | C6 | H4 | 120.1° | 120.0° |
C4 | C3 | C2 | 118.9° | 119.9° |
C3 | C4 | H5 | 119.9° | 120.0° |
C4 | C3 | H6 | 120.5° | 120.0° |
C7 | C2 | C3 | 120.7° | 119.8° |
C7 | C2 | N1 | 116.4° | 120.1° |
C2 | C7 | H2 | 120.2° | 120.0° |
C3 | C2 | N1 | 122.9° | 120.0° |
C2 | C3 | H6 | 120.5° | 120.1° |
C2 | N1 | N | 105.8° | 120.0° |
C2 | N1 | H1 | 110.4° | 119.9° |
N1 | N | C1 | 131.0° | 120.0° |
N | N1 | H1 | 110.4° | 120.0° |
N1 | N | H10 | 114.5° | 120.0° |
N | C1 | O | 114.0° | 120.0° |
N | C1 | C | 124.5° | 120.0° |
C1 | N | H10 | 114.5° | 120.0° |
O | C1 | C | 120.8° | 120.0° |
C1 | C | H7 | 109.5° | 109.5° |
C1 | C | H8 | 109.5° | 109.5° |
C1 | C | H9 | 109.5° | 109.6° |
H7 | C | H8 | 109.5° | 109.4° |
H7 | C | H9 | 109.5° | 109.5° |
H8 | C | H9 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | C4 | H3 | 180.0° | 179.9° |
C5 | C6 | C7 | H4 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 1.3° | 0.3° |
C5 | C6 | C7 | C2 | 1.0° | 0.0° |
C5 | C6 | C7 | H2 | 179.0° | 179.7° |
C6 | C5 | C4 | H5 | 178.7° | 179.9° |
C4 | C5 | C6 | C7 | 0.4° | 0.0° |
C5 | C4 | C3 | H5 | 180.0° | 179.8° |
C5 | C4 | C3 | C2 | 0.8° | 0.5° |
C4 | C5 | C6 | H4 | 179.6° | 179.9° |
C5 | C4 | C3 | H6 | 179.2° | 179.9° |
C6 | C7 | C2 | H2 | 180.0° | 179.7° |
C6 | C7 | C2 | C3 | 1.5° | 0.2° |
C6 | C7 | C2 | N1 | 179.8° | 179.7° |
C7 | C6 | C5 | H3 | 179.6° | 180.0° |
C4 | C3 | C2 | C7 | 0.6° | 0.4° |
C4 | C3 | C2 | H6 | 180.0° | 179.6° |
C4 | C3 | C2 | N1 | 179.1° | 179.5° |
C3 | C4 | C5 | H3 | 178.7° | 179.8° |
C7 | C2 | C3 | N1 | 178.6° | 179.9° |
C7 | C2 | N1 | N | 95.4° | 180.0° |
C7 | C2 | N1 | H1 | 24.0° | 0.2° |
C2 | C7 | C6 | H4 | 179.0° | 180.0° |
C7 | C2 | C3 | H6 | 179.4° | 180.0° |
C3 | C2 | N1 | N | 83.2° | 0.1° |
C3 | C2 | N1 | H1 | 157.4° | 179.7° |
C3 | C2 | C7 | H2 | 178.5° | 179.9° |
C2 | C3 | C4 | H5 | 179.2° | 179.8° |
C2 | N1 | N | H1 | 119.4° | 179.8° |
C2 | N1 | N | C1 | 95.2° | 179.8° |
N1 | C2 | C7 | H2 | 0.2° | 0.0° |
N1 | C2 | C3 | H6 | 0.8° | 0.1° |
C2 | N1 | N | H10 | 84.8° | 0.2° |
N1 | N | C1 | H10 | 180.0° | 180.0° |
N1 | N | C1 | O | 152.8° | 0.0° |
N1 | N | C1 | C | 17.1° | 180.0° |
N | C1 | O | C | 170.4° | 180.0° |
C1 | N | N1 | H1 | 145.4° | 0.0° |
N | C1 | C | H7 | 169.3° | 180.0° |
N | C1 | C | H8 | 70.7° | 60.1° |
N | C1 | C | H9 | 49.3° | 60.0° |
O | C1 | C | H7 | 0.0° | 0.0° |
O | C1 | C | H8 | 120.0° | 120.0° |
O | C1 | C | H9 | 120.0° | 120.0° |
O | C1 | N | H10 | 27.2° | 180.0° |
C1 | C | H7 | H8 | 120.0° | 120.0° |
C1 | C | H7 | H9 | 120.0° | 120.1° |
C1 | C | H8 | H9 | 120.0° | 120.1° |
C | C1 | N | H10 | 162.9° | 0.0° |
H1 | N1 | N | H10 | 34.6° | 180.0° |
H2 | C7 | C6 | H4 | 1.0° | 0.2° |
H3 | C5 | C6 | H4 | 0.4° | 0.0° |
H3 | C5 | C4 | H5 | 1.3° | 0.0° |
H5 | C4 | C3 | H6 | 0.8° | 0.2° |
H7 | C | H8 | H9 | 120.0° | 119.9° |