6FG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C2 | sing | 1.34Å | 1.37Å | Aromatic |
O | C1 | sing | 1.34Å | 1.39Å | Aromatic |
C2 | C3 | doub | 1.34Å | 1.39Å | Aromatic |
C1 | C | doub | 1.35Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.55Å | 1.53Å | |
C7 | N | sing | 1.47Å | 1.42Å | |
C3 | C | sing | 1.41Å | 1.36Å | Aromatic |
C3 | C4 | sing | 1.51Å | 1.44Å | |
C8 | C9 | sing | 1.55Å | 1.50Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C5 | C6 | sing | 1.51Å | 1.50Å | |
N | C6 | sing | 1.35Å | 1.40Å | |
N | C10 | sing | 1.47Å | 1.47Å | |
C6 | O1 | doub | 1.21Å | 1.24Å | |
C9 | C10 | sing | 1.54Å | 1.52Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C9 | H2 | sing | 1.09Å | 1.10Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.08Å | 1.08Å | |
C2 | H10 | sing | 1.08Å | 1.08Å | |
C1 | H11 | sing | 1.08Å | 1.08Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C8 | H14 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O | C1 | 112.1° | 109.5° |
O | C2 | C3 | 102.2° | 108.5° |
O | C2 | H10 | 128.9° | 125.8° |
O | C1 | C | 106.4° | 108.4° |
O | C1 | H11 | 126.8° | 125.8° |
C2 | C3 | C | 113.1° | 106.8° |
C2 | C3 | C4 | 122.1° | 126.6° |
C3 | C2 | H10 | 128.9° | 125.8° |
C1 | C | C3 | 106.1° | 106.8° |
C1 | C | H9 | 127.0° | 126.6° |
C | C1 | H11 | 126.8° | 125.8° |
C8 | C7 | N | 100.9° | 104.7° |
C7 | C8 | C9 | 114.1° | 101.4° |
C7 | C8 | H3 | 108.3° | 111.2° |
C8 | C7 | H4 | 111.6° | 110.4° |
C7 | C8 | H14 | 108.3° | 110.9° |
C8 | C7 | H15 | 111.6° | 110.3° |
C7 | N | C6 | 119.6° | 125.7° |
C7 | N | C10 | 115.4° | 108.7° |
N | C7 | H4 | 111.6° | 110.7° |
N | C7 | H15 | 111.6° | 110.2° |
C | C3 | C4 | 124.8° | 126.5° |
C3 | C | H9 | 126.9° | 126.6° |
C3 | C4 | C5 | 104.4° | 109.5° |
C3 | C4 | H7 | 110.7° | 109.5° |
C3 | C4 | H8 | 110.7° | 109.5° |
C8 | C9 | C10 | 102.0° | 102.9° |
C8 | C9 | H2 | 111.3° | 110.7° |
C9 | C8 | H3 | 108.3° | 111.0° |
C8 | C9 | H13 | 111.3° | 110.9° |
C9 | C8 | H14 | 108.3° | 111.0° |
C4 | C5 | C6 | 105.0° | 109.5° |
C4 | C5 | H5 | 110.6° | 109.5° |
C4 | C5 | H6 | 110.6° | 109.5° |
C5 | C4 | H7 | 110.7° | 109.4° |
C5 | C4 | H8 | 110.7° | 109.5° |
C5 | C6 | N | 123.3° | 120.0° |
C5 | C6 | O1 | 114.7° | 119.9° |
C6 | C5 | H5 | 110.6° | 109.5° |
C6 | C5 | H6 | 110.6° | 109.5° |
C6 | N | C10 | 125.0° | 125.6° |
N | C6 | O1 | 122.0° | 120.0° |
N | C10 | C9 | 107.2° | 107.3° |
N | C10 | H1 | 110.0° | 109.9° |
N | C10 | H12 | 110.1° | 109.9° |
C9 | C10 | H1 | 110.0° | 109.9° |
C10 | C9 | H2 | 111.3° | 110.8° |
C9 | C10 | H12 | 110.0° | 110.0° |
C10 | C9 | H13 | 111.3° | 110.7° |
H1 | C10 | H12 | 109.4° | 109.8° |
H2 | C9 | H13 | 109.5° | 110.7° |
H3 | C8 | H14 | 109.5° | 110.9° |
H4 | C7 | H15 | 109.5° | 110.4° |
H5 | C5 | H6 | 109.5° | 109.4° |
H7 | C4 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C2 | C3 | H10 | 180.0° | 180.0° |
C2 | O | C1 | C | 0.0° | 0.5° |
O | C2 | C3 | C | 1.0° | 0.0° |
O | C2 | C3 | C4 | 179.0° | 179.7° |
C2 | O | C1 | H11 | 180.0° | 180.0° |
C1 | O | C2 | C3 | 0.6° | 0.3° |
O | C1 | C | H11 | 180.0° | 179.5° |
O | C1 | C | C3 | 0.7° | 0.5° |
O | C1 | C | H9 | 179.3° | 179.6° |
C1 | O | C2 | H10 | 179.4° | 179.8° |
C2 | C3 | C | C1 | 1.1° | 0.3° |
C2 | C3 | C | C4 | 180.0° | 179.6° |
C2 | C3 | C4 | C5 | 4.7° | 90.4° |
C2 | C3 | C4 | H7 | 114.5° | 149.7° |
C2 | C3 | C4 | H8 | 123.9° | 29.6° |
C2 | C3 | C | H9 | 178.9° | 179.8° |
C1 | C | C3 | H9 | 180.0° | 179.9° |
C1 | C | C3 | C4 | 178.9° | 179.9° |
C8 | C7 | N | H4 | 118.6° | 118.9° |
C8 | C7 | N | H15 | 118.6° | 118.7° |
C7 | C8 | C9 | H3 | 120.7° | 118.2° |
C7 | C8 | C9 | H14 | 120.7° | 117.9° |
C8 | C7 | N | C6 | 173.2° | 155.8° |
C8 | C7 | N | C10 | 5.6° | 24.5° |
C7 | C8 | C9 | C10 | 1.5° | 35.7° |
C7 | C8 | C9 | H2 | 117.3° | 154.0° |
C7 | C8 | H3 | H14 | 117.9° | 124.0° |
C8 | C7 | H4 | H15 | 124.0° | 122.2° |
C7 | C8 | C9 | H13 | 120.2° | 82.8° |
N | C7 | C8 | C9 | 2.3° | 37.3° |
C7 | N | C6 | C5 | 18.7° | 0.1° |
C7 | N | C6 | C10 | 178.6° | 179.6° |
C7 | N | C6 | O1 | 164.5° | 179.6° |
C7 | N | C10 | C9 | 6.9° | 1.4° |
C7 | N | C10 | H1 | 112.7° | 120.7° |
N | C7 | C8 | H3 | 118.4° | 80.7° |
N | C7 | H4 | H15 | 124.0° | 122.3° |
C7 | N | C10 | H12 | 126.6° | 118.3° |
N | C7 | C8 | H14 | 123.0° | 155.3° |
C | C3 | C4 | C5 | 175.3° | 90.1° |
C | C3 | C4 | H7 | 65.4° | 29.9° |
C | C3 | C4 | H8 | 56.1° | 149.9° |
C | C3 | C2 | H10 | 179.0° | 179.9° |
C3 | C | C1 | H11 | 179.4° | 180.0° |
C3 | C4 | C5 | H7 | 119.2° | 120.0° |
C3 | C4 | C5 | H8 | 119.2° | 120.0° |
C3 | C4 | C5 | C6 | 177.1° | 180.0° |
C3 | C4 | C5 | H5 | 57.8° | 59.9° |
C3 | C4 | C5 | H6 | 63.6° | 60.0° |
C3 | C4 | H7 | H8 | 122.3° | 120.0° |
C4 | C3 | C | H9 | 1.1° | 0.1° |
C4 | C3 | C2 | H10 | 1.0° | 0.3° |
C8 | C9 | C10 | N | 4.6° | 22.2° |
C8 | C9 | C10 | H2 | 118.8° | 118.3° |
C8 | C9 | C10 | H13 | 118.8° | 118.5° |
C8 | C9 | C10 | H1 | 115.1° | 97.2° |
C8 | C9 | H2 | H13 | 123.5° | 123.3° |
C9 | C8 | H3 | H14 | 117.9° | 123.9° |
C9 | C8 | C7 | H4 | 116.3° | 81.9° |
C8 | C9 | C10 | H12 | 124.3° | 141.7° |
C9 | C8 | C7 | H15 | 120.9° | 155.9° |
C4 | C5 | C6 | H5 | 119.3° | 120.1° |
C4 | C5 | C6 | H6 | 119.3° | 120.0° |
C4 | C5 | C6 | N | 172.0° | 179.7° |
C4 | C5 | C6 | O1 | 5.0° | 0.0° |
C4 | C5 | H5 | H6 | 122.1° | 120.0° |
C5 | C4 | H7 | H8 | 122.3° | 120.0° |
C5 | C6 | N | O1 | 176.8° | 179.8° |
C5 | C6 | N | C10 | 159.9° | 179.7° |
C6 | C5 | H5 | H6 | 122.1° | 120.0° |
C6 | C5 | C4 | H7 | 63.7° | 60.0° |
C6 | C5 | C4 | H8 | 57.9° | 60.0° |
C6 | N | C10 | C9 | 171.7° | 179.0° |
C6 | N | C10 | H1 | 68.6° | 59.6° |
C6 | N | C7 | H4 | 68.2° | 85.2° |
N | C6 | C5 | H5 | 52.7° | 60.2° |
N | C6 | C5 | H6 | 68.7° | 59.7° |
C6 | N | C10 | H12 | 52.1° | 61.4° |
C6 | N | C7 | H15 | 54.6° | 37.2° |
C10 | N | C6 | O1 | 16.9° | 0.1° |
N | C10 | C9 | H1 | 119.7° | 119.4° |
N | C10 | C9 | H12 | 119.7° | 119.6° |
N | C10 | H1 | H12 | 121.1° | 121.0° |
N | C10 | C9 | H2 | 114.2° | 140.5° |
C10 | N | C7 | H4 | 113.0° | 94.4° |
N | C10 | C9 | H13 | 123.4° | 96.4° |
C10 | N | C7 | H15 | 124.1° | 143.2° |
O1 | C6 | C5 | H5 | 124.3° | 120.0° |
O1 | C6 | C5 | H6 | 114.3° | 120.0° |
C9 | C10 | H1 | H12 | 121.0° | 121.2° |
C10 | C9 | H2 | H13 | 123.4° | 123.2° |
C10 | C9 | C8 | H3 | 122.2° | 82.6° |
C10 | C9 | C8 | H14 | 119.2° | 153.6° |
H1 | C10 | C9 | H2 | 126.2° | 21.1° |
H1 | C10 | C9 | H13 | 3.7° | 144.2° |
H2 | C9 | C8 | H3 | 3.4° | 35.8° |
H2 | C9 | C10 | H12 | 5.5° | 100.0° |
H2 | C9 | C8 | H14 | 122.0° | 88.0° |
H3 | C8 | C7 | H4 | 123.0° | 160.1° |
H3 | C8 | C9 | H13 | 119.1° | 159.0° |
H3 | C8 | C7 | H15 | 0.2° | 37.8° |
H4 | C7 | C8 | H14 | 4.4° | 36.1° |
H5 | C5 | C4 | H7 | 177.1° | 179.9° |
H5 | C5 | C4 | H8 | 61.4° | 60.1° |
H6 | C5 | C4 | H7 | 55.7° | 60.0° |
H6 | C5 | C4 | H8 | 177.2° | 180.0° |
H9 | C | C1 | H11 | 0.7° | 0.1° |
H12 | C10 | C9 | H13 | 116.9° | 23.2° |
H13 | C9 | C8 | H14 | 0.4° | 35.1° |
H14 | C8 | C7 | H15 | 118.4° | 86.2° |