6WG
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 | 1.39Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C7 | sing | 1.51Å | 1.52Å | |
O1 | C12 | doub | 1.21Å | 1.21Å | |
C12 | N1 | sing | 1.35Å | 1.35Å | |
N1 | C7 | sing | 1.47Å | 1.47Å | |
N1 | C11 | sing | 1.47Å | 1.47Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C11 | C10 | sing | 1.53Å | 1.50Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C10 | C9 | sing | 1.53Å | 1.51Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 120.3° | 120.1° |
C2 | C1 | C6 | 119.6° | 119.9° |
C2 | C1 | H1 | 120.2° | 120.1° |
C1 | C2 | H2 | 119.9° | 120.0° |
C2 | C3 | C4 | 120.7° | 120.0° |
C3 | C2 | H2 | 119.8° | 119.9° |
C2 | C3 | H3 | 119.6° | 120.1° |
C1 | C6 | C5 | 120.4° | 120.0° |
C1 | C6 | H5 | 119.8° | 120.0° |
C6 | C1 | H1 | 120.2° | 120.0° |
C3 | C4 | C5 | 118.2° | 120.0° |
C3 | C4 | C7 | 120.8° | 120.0° |
C4 | C3 | H3 | 119.6° | 120.0° |
C6 | C5 | C4 | 120.7° | 120.0° |
C5 | C6 | H5 | 119.8° | 120.0° |
C6 | C5 | H4 | 119.6° | 120.1° |
C5 | C4 | C7 | 120.9° | 120.0° |
C4 | C5 | H4 | 119.7° | 120.0° |
C4 | C7 | N1 | 111.1° | 109.5° |
C4 | C7 | C8 | 117.0° | 109.6° |
C4 | C7 | H6 | 107.8° | 109.5° |
O1 | C12 | N1 | 124.3° | 120.0° |
O1 | C12 | H15 | 117.8° | 120.0° |
C12 | N1 | C7 | 123.7° | 120.7° |
C12 | N1 | C11 | 119.6° | 120.6° |
N1 | C12 | H15 | 117.9° | 120.0° |
C7 | N1 | C11 | 116.5° | 118.7° |
N1 | C7 | C8 | 104.5° | 108.8° |
N1 | C7 | H6 | 108.4° | 109.7° |
N1 | C11 | C10 | 110.2° | 108.8° |
N1 | C11 | H14 | 109.3° | 109.6° |
N1 | C11 | H13 | 109.3° | 109.7° |
C7 | C8 | C9 | 112.4° | 109.3° |
C8 | C7 | H6 | 107.7° | 109.6° |
C7 | C8 | H8 | 108.7° | 109.5° |
C7 | C8 | H7 | 108.7° | 109.5° |
C11 | C10 | C9 | 110.8° | 109.3° |
C11 | C10 | H12 | 109.1° | 109.5° |
C11 | C10 | H11 | 109.1° | 109.5° |
C10 | C11 | H14 | 109.3° | 109.6° |
C10 | C11 | H13 | 109.3° | 109.6° |
C8 | C9 | C10 | 111.4° | 109.6° |
C8 | C9 | H10 | 109.0° | 109.4° |
C8 | C9 | H9 | 109.0° | 109.4° |
C9 | C8 | H8 | 108.8° | 109.5° |
C9 | C8 | H7 | 108.7° | 109.5° |
C10 | C9 | H10 | 109.0° | 109.5° |
C10 | C9 | H9 | 109.0° | 109.4° |
C9 | C10 | H12 | 109.1° | 109.6° |
C9 | C10 | H11 | 109.2° | 109.5° |
H10 | C9 | H9 | 109.5° | 109.5° |
H8 | C8 | H7 | 109.5° | 109.5° |
H12 | C10 | H11 | 109.5° | 109.5° |
H14 | C11 | H13 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | H2 | 180.0° | 179.0° |
C2 | C1 | C6 | H1 | 180.0° | 179.3° |
C1 | C2 | C3 | C4 | 0.4° | 0.6° |
C2 | C1 | C6 | C5 | 0.5° | 0.6° |
C2 | C1 | C6 | H5 | 179.5° | 179.4° |
C1 | C2 | C3 | H3 | 179.6° | 179.4° |
C3 | C2 | C1 | C6 | 0.6° | 1.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 1.6° | 0.0° |
C2 | C3 | C4 | C7 | 179.3° | 179.7° |
C3 | C2 | C1 | H1 | 179.4° | 179.7° |
C1 | C6 | C5 | H5 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.7° | 0.0° |
C6 | C1 | C2 | H2 | 179.4° | 180.0° |
C1 | C6 | C5 | H4 | 179.3° | 180.0° |
C3 | C4 | C5 | C6 | 1.7° | 0.4° |
C3 | C4 | C5 | C7 | 179.1° | 179.6° |
C3 | C4 | C7 | N1 | 29.4° | 54.9° |
C3 | C4 | C7 | C8 | 149.3° | 64.4° |
C3 | C4 | C7 | H6 | 89.2° | 175.3° |
C4 | C3 | C2 | H2 | 179.5° | 179.7° |
C3 | C4 | C5 | H4 | 178.3° | 179.7° |
C6 | C5 | C4 | H4 | 180.0° | 179.9° |
C6 | C5 | C4 | C7 | 179.2° | 180.0° |
C5 | C6 | C1 | H1 | 179.5° | 180.0° |
C5 | C4 | C7 | N1 | 151.5° | 125.4° |
C5 | C4 | C7 | C8 | 31.6° | 115.3° |
C5 | C4 | C7 | H6 | 89.8° | 5.0° |
C4 | C5 | C6 | H5 | 179.3° | 180.0° |
C5 | C4 | C3 | H3 | 178.4° | 179.9° |
C4 | C7 | N1 | C12 | 118.4° | 6.5° |
C4 | C7 | N1 | C8 | 127.1° | 119.8° |
C4 | C7 | N1 | H6 | 118.3° | 120.3° |
C4 | C7 | N1 | C11 | 66.8° | 173.4° |
C4 | C7 | C8 | H6 | 121.5° | 120.3° |
C4 | C7 | C8 | C9 | 66.6° | 174.4° |
C4 | C7 | C8 | H8 | 173.0° | 65.6° |
C4 | C7 | C8 | H7 | 53.8° | 54.5° |
C7 | C4 | C3 | H3 | 0.7° | 0.3° |
C7 | C4 | C5 | H4 | 0.8° | 0.1° |
O1 | C12 | N1 | H15 | 180.0° | 180.0° |
O1 | C12 | N1 | C7 | 176.7° | 174.6° |
O1 | C12 | N1 | C11 | 8.7° | 5.3° |
C12 | N1 | C7 | C11 | 174.7° | 179.9° |
C12 | N1 | C7 | C8 | 114.5° | 126.3° |
C12 | N1 | C11 | C10 | 115.2° | 126.4° |
C12 | N1 | C7 | H6 | 0.2° | 113.8° |
C12 | N1 | C11 | H14 | 124.7° | 113.9° |
C12 | N1 | C11 | H13 | 4.9° | 6.5° |
N1 | C7 | C8 | H6 | 115.2° | 120.0° |
C7 | N1 | C11 | C10 | 59.8° | 53.6° |
N1 | C7 | C8 | C9 | 56.7° | 54.6° |
N1 | C7 | C8 | H8 | 63.8° | 174.6° |
N1 | C7 | C8 | H7 | 177.1° | 65.3° |
C7 | N1 | C11 | H14 | 60.3° | 66.2° |
C7 | N1 | C11 | H13 | 179.9° | 173.4° |
C7 | N1 | C12 | H15 | 3.3° | 5.4° |
C11 | N1 | C7 | C8 | 60.2° | 53.6° |
N1 | C11 | C10 | H14 | 120.1° | 119.7° |
N1 | C11 | C10 | H13 | 120.1° | 119.9° |
N1 | C11 | C10 | C9 | 51.7° | 54.6° |
C11 | N1 | C7 | H6 | 174.9° | 66.3° |
N1 | C11 | C10 | H12 | 171.9° | 174.6° |
N1 | C11 | C10 | H11 | 68.5° | 65.4° |
N1 | C11 | H14 | H13 | 119.7° | 120.5° |
C11 | N1 | C12 | H15 | 171.3° | 174.6° |
C7 | C8 | C9 | H8 | 120.4° | 120.0° |
C7 | C8 | C9 | H7 | 120.4° | 119.9° |
C7 | C8 | C9 | C10 | 56.2° | 61.4° |
C7 | C8 | C9 | H10 | 176.5° | 58.7° |
C7 | C8 | C9 | H9 | 64.1° | 178.6° |
C7 | C8 | H8 | H7 | 118.6° | 120.0° |
C11 | C10 | C9 | C8 | 51.8° | 61.4° |
C11 | C10 | C9 | H12 | 120.2° | 119.9° |
C11 | C10 | C9 | H11 | 120.2° | 120.0° |
C11 | C10 | C9 | H10 | 172.1° | 58.7° |
C11 | C10 | C9 | H9 | 68.5° | 178.7° |
C11 | C10 | H12 | H11 | 119.4° | 120.1° |
C10 | C11 | H14 | H13 | 119.7° | 120.3° |
C8 | C9 | C10 | H10 | 120.3° | 120.0° |
C8 | C9 | C10 | H9 | 120.3° | 120.0° |
C9 | C8 | C7 | H6 | 171.9° | 65.3° |
C8 | C9 | H10 | H9 | 119.1° | 119.9° |
C9 | C8 | H8 | H7 | 118.7° | 120.1° |
C8 | C9 | C10 | H12 | 172.0° | 178.7° |
C8 | C9 | C10 | H11 | 68.4° | 58.6° |
C10 | C9 | H10 | H9 | 119.1° | 120.0° |
C10 | C9 | C8 | H8 | 64.2° | 178.7° |
C10 | C9 | C8 | H7 | 176.6° | 58.5° |
C9 | C10 | H12 | H11 | 119.4° | 120.1° |
C9 | C10 | C11 | H14 | 68.4° | 65.1° |
C9 | C10 | C11 | H13 | 171.8° | 174.5° |
H6 | C7 | C8 | H8 | 51.4° | 54.6° |
H6 | C7 | C8 | H7 | 67.7° | 174.7° |
H5 | C6 | C1 | H1 | 0.5° | 0.0° |
H5 | C6 | C5 | H4 | 0.7° | 0.0° |
H10 | C9 | C8 | H8 | 56.1° | 61.3° |
H10 | C9 | C8 | H7 | 63.1° | 178.6° |
H10 | C9 | C10 | H12 | 67.7° | 61.3° |
H10 | C9 | C10 | H11 | 51.9° | 178.6° |
H9 | C9 | C8 | H8 | 175.5° | 58.7° |
H9 | C9 | C8 | H7 | 56.3° | 61.5° |
H9 | C9 | C10 | H12 | 51.7° | 58.7° |
H9 | C9 | C10 | H11 | 171.3° | 61.4° |
H1 | C1 | C2 | H2 | 0.6° | 0.7° |
H2 | C2 | C3 | H3 | 0.4° | 0.4° |
H12 | C10 | C11 | H14 | 51.8° | 54.9° |
H12 | C10 | C11 | H13 | 68.0° | 65.5° |
H11 | C10 | C11 | H14 | 171.4° | 174.9° |
H11 | C10 | C11 | H13 | 51.6° | 54.6° |