6C8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C9 | sing | 1.55Å | 1.53Å | |
C8 | C7 | sing | 1.55Å | 1.56Å | |
C9 | C10 | sing | 1.54Å | 1.57Å | |
C7 | N | sing | 1.47Å | 1.45Å | |
N | C10 | sing | 1.47Å | 1.47Å | |
N | C6 | sing | 1.35Å | 1.35Å | |
C6 | O1 | doub | 1.22Å | 1.22Å | |
C6 | C5 | sing | 1.42Å | 1.50Å | |
C5 | C4 | doub | 1.35Å | 1.31Å | |
C4 | C3 | sing | 1.47Å | 1.46Å | |
C | C3 | sing | 1.47Å | 1.38Å | Aromatic |
C | C1 | doub | 1.34Å | 1.37Å | Aromatic |
C3 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
C1 | O | sing | 1.34Å | 1.44Å | Aromatic |
C2 | O | sing | 1.34Å | 1.38Å | Aromatic |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C9 | H3 | sing | 1.09Å | 1.10Å | |
C9 | 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 | |
C5 | H9 | sing | 1.08Å | 1.08Å | |
C4 | H10 | sing | 1.08Å | 1.08Å | |
C | H11 | sing | 1.08Å | 1.08Å | |
C2 | H12 | sing | 1.08Å | 1.08Å | |
C1 | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | C7 | 107.2° | 101.5° |
C8 | C9 | C10 | 106.8° | 103.0° |
C8 | C9 | H3 | 110.1° | 110.8° |
C8 | C9 | H4 | 110.1° | 110.9° |
C9 | C8 | H5 | 110.0° | 111.0° |
C9 | C8 | H6 | 110.0° | 111.0° |
C8 | C7 | N | 103.5° | 104.7° |
C7 | C8 | H5 | 110.0° | 111.1° |
C7 | C8 | H6 | 110.1° | 110.9° |
C8 | C7 | H7 | 110.9° | 110.3° |
C8 | C7 | H8 | 110.9° | 110.3° |
C9 | C10 | N | 103.3° | 107.3° |
C9 | C10 | H1 | 111.0° | 109.9° |
C9 | C10 | H2 | 111.0° | 110.0° |
C10 | C9 | H3 | 110.1° | 110.7° |
C10 | C9 | H4 | 110.1° | 110.7° |
C7 | N | C10 | 116.3° | 108.7° |
C7 | N | C6 | 120.2° | 125.6° |
N | C7 | H7 | 110.9° | 110.7° |
N | C7 | H8 | 110.9° | 110.2° |
C10 | N | C6 | 123.5° | 125.6° |
N | C10 | H1 | 111.0° | 109.9° |
N | C10 | H2 | 111.0° | 109.9° |
N | C6 | O1 | 119.1° | 120.0° |
N | C6 | C5 | 120.9° | 120.0° |
O1 | C6 | C5 | 119.8° | 120.0° |
C6 | C5 | C4 | 118.9° | 120.0° |
C6 | C5 | H9 | 120.5° | 120.0° |
C5 | C4 | C3 | 121.3° | 120.0° |
C4 | C5 | H9 | 120.5° | 120.0° |
C5 | C4 | H10 | 119.4° | 120.0° |
C4 | C3 | C | 126.7° | 127.2° |
C4 | C3 | C2 | 117.0° | 127.2° |
C3 | C4 | H10 | 119.4° | 120.0° |
C3 | C | C1 | 106.7° | 106.0° |
C | C3 | C2 | 114.8° | 105.6° |
C3 | C | H11 | 126.6° | 127.0° |
C | C1 | O | 103.8° | 109.2° |
C1 | C | H11 | 126.7° | 127.0° |
C | C1 | H13 | 128.1° | 125.4° |
C3 | C2 | O | 100.5° | 108.3° |
C3 | C2 | H12 | 129.7° | 125.9° |
C1 | O | C2 | 113.3° | 110.9° |
O | C1 | H13 | 128.1° | 125.4° |
O | C2 | H12 | 129.8° | 125.8° |
H1 | C10 | H2 | 109.5° | 109.9° |
H3 | C9 | H4 | 109.5° | 110.6° |
H5 | C8 | H6 | 109.5° | 111.0° |
H7 | C7 | H8 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | C7 | H5 | 119.6° | 118.0° |
C9 | C8 | C7 | H6 | 119.7° | 118.0° |
C8 | C9 | C10 | H3 | 119.6° | 118.4° |
C8 | C9 | C10 | H4 | 119.6° | 118.5° |
C9 | C8 | C7 | N | 15.6° | 37.3° |
C8 | C9 | C10 | N | 11.4° | 22.2° |
C8 | C9 | C10 | H1 | 107.6° | 97.2° |
C8 | C9 | C10 | H2 | 130.4° | 141.7° |
C8 | C9 | H3 | H4 | 121.2° | 123.4° |
C9 | C8 | H5 | H6 | 121.0° | 123.9° |
C9 | C8 | C7 | H7 | 103.4° | 81.9° |
C9 | C8 | C7 | H8 | 134.6° | 155.8° |
C7 | C8 | C9 | C10 | 17.0° | 35.6° |
C8 | C7 | N | H7 | 119.0° | 118.9° |
C8 | C7 | N | H8 | 119.0° | 118.7° |
C8 | C7 | N | C10 | 8.8° | 24.5° |
C8 | C7 | N | C6 | 169.8° | 155.9° |
C7 | C8 | C9 | H3 | 136.5° | 154.0° |
C7 | C8 | C9 | H4 | 102.6° | 82.8° |
C7 | C8 | H5 | H6 | 121.1° | 123.9° |
C8 | C7 | H7 | H8 | 122.7° | 122.2° |
C9 | C10 | N | C7 | 1.4° | 1.3° |
C9 | C10 | N | H1 | 119.0° | 119.4° |
C9 | C10 | N | H2 | 119.0° | 119.6° |
C9 | C10 | N | C6 | 180.0° | 179.0° |
C9 | C10 | H1 | H2 | 122.9° | 121.2° |
C10 | C9 | H3 | H4 | 121.2° | 123.1° |
C10 | C9 | C8 | H5 | 136.6° | 82.5° |
C10 | C9 | C8 | H6 | 102.7° | 153.5° |
C7 | N | C10 | C6 | 178.6° | 179.7° |
C7 | N | C6 | O1 | 10.5° | 179.7° |
C7 | N | C6 | C5 | 164.8° | 0.1° |
C7 | N | C10 | H1 | 117.6° | 120.8° |
C7 | N | C10 | H2 | 120.4° | 118.3° |
N | C7 | C8 | H5 | 135.2° | 80.8° |
N | C7 | C8 | H6 | 104.1° | 155.3° |
N | C7 | H7 | H8 | 122.8° | 122.3° |
C10 | N | C6 | O1 | 171.0° | 0.0° |
C10 | N | C6 | C5 | 13.7° | 179.7° |
N | C10 | H1 | H2 | 122.8° | 121.0° |
N | C10 | C9 | H3 | 131.0° | 140.6° |
N | C10 | C9 | H4 | 108.2° | 96.4° |
C10 | N | C7 | H7 | 110.2° | 94.5° |
C10 | N | C7 | H8 | 127.9° | 143.1° |
N | C6 | O1 | C5 | 175.3° | 179.7° |
N | C6 | C5 | C4 | 169.7° | 179.8° |
C6 | N | C10 | H1 | 60.9° | 59.6° |
C6 | N | C10 | H2 | 61.0° | 61.4° |
C6 | N | C7 | H7 | 71.2° | 85.2° |
C6 | N | C7 | H8 | 50.8° | 37.2° |
N | C6 | C5 | H9 | 10.4° | 0.3° |
O1 | C6 | C5 | C4 | 15.1° | 0.0° |
O1 | C6 | C5 | H9 | 164.9° | 180.0° |
C6 | C5 | C4 | H9 | 180.0° | 179.9° |
C6 | C5 | C4 | C3 | 176.5° | 180.0° |
C6 | C5 | C4 | H10 | 3.5° | 0.0° |
C5 | C4 | C3 | H10 | 180.0° | 180.0° |
C5 | C4 | C3 | C | 2.0° | 179.8° |
C5 | C4 | C3 | C2 | 163.1° | 0.0° |
C4 | C3 | C | C2 | 165.4° | 179.8° |
C4 | C3 | C | C1 | 174.5° | 180.0° |
C4 | C3 | C2 | O | 176.6° | 180.0° |
C3 | C4 | C5 | H9 | 3.5° | 0.0° |
C4 | C3 | C | H11 | 5.5° | 0.1° |
C4 | C3 | C2 | H12 | 3.4° | 0.1° |
C3 | C | C1 | H11 | 180.0° | 179.9° |
C3 | C | C1 | O | 3.9° | 0.1° |
C | C3 | C2 | O | 9.7° | 0.2° |
C | C3 | C4 | H10 | 178.0° | 0.2° |
C | C3 | C2 | H12 | 170.3° | 179.7° |
C3 | C | C1 | H13 | 176.1° | 179.9° |
C1 | C | C3 | C2 | 9.1° | 0.2° |
C | C1 | O | H13 | 180.0° | 179.8° |
C | C1 | O | C2 | 2.0° | 0.0° |
C3 | C2 | O | C1 | 6.9° | 0.1° |
C3 | C2 | O | H12 | 180.0° | 179.9° |
C2 | C3 | C4 | H10 | 16.9° | 180.0° |
C2 | C3 | C | H11 | 170.9° | 179.7° |
O | C1 | C | H11 | 176.1° | 179.8° |
C1 | O | C2 | H12 | 173.1° | 179.8° |
C2 | O | C1 | H13 | 178.0° | 179.8° |
H1 | C10 | C9 | H3 | 12.0° | 21.2° |
H1 | C10 | C9 | H4 | 132.8° | 144.2° |
H2 | C10 | C9 | H3 | 110.0° | 99.9° |
H2 | C10 | C9 | H4 | 10.8° | 23.1° |
H3 | C9 | C8 | H5 | 103.8° | 35.9° |
H3 | C9 | C8 | H6 | 16.9° | 88.1° |
H4 | C9 | C8 | H5 | 17.0° | 159.1° |
H4 | C9 | C8 | H6 | 137.7° | 35.2° |
H5 | C8 | C7 | H7 | 16.2° | 160.1° |
H5 | C8 | C7 | H8 | 105.7° | 37.8° |
H6 | C8 | C7 | H7 | 136.9° | 36.1° |
H6 | C8 | C7 | H8 | 15.0° | 86.2° |
H9 | C5 | C4 | H10 | 176.5° | 179.9° |
H11 | C | C1 | H13 | 3.9° | 0.0° |