L7F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
C5 | N1 | sing | 1.40Å | 1.41Å | |
C1 | C | sing | 1.51Å | 1.51Å | |
N1 | C6 | sing | 1.35Å | 1.34Å | |
O | C6 | doub | 1.21Å | 1.23Å | |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C9 | C8 | sing | 1.53Å | 1.49Å | |
C9 | C10 | sing | 1.53Å | 1.50Å | |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C8 | C10 | sing | 1.54Å | 1.50Å | |
C8 | C13 | sing | 1.54Å | 1.53Å | |
C10 | C11 | sing | 1.54Å | 1.53Å | |
C13 | C12 | sing | 1.55Å | 1.52Å | |
C11 | C12 | sing | 1.55Å | 1.52Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.08Å | 1.08Å | |
C2 | H9 | sing | 1.08Å | 1.08Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
C | H11 | sing | 1.09Å | 1.10Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | N | C4 | 117.3° | 121.8° |
N | C3 | C2 | 123.7° | 120.9° |
N | C3 | H8 | 118.2° | 119.6° |
N | C4 | C5 | 123.3° | 120.7° |
N | C4 | H2 | 118.4° | 119.7° |
C3 | C2 | C1 | 119.6° | 119.2° |
C2 | C3 | H8 | 118.1° | 119.5° |
C3 | C2 | H9 | 120.2° | 120.4° |
C4 | C5 | C1 | 118.8° | 119.1° |
C4 | C5 | N1 | 121.8° | 120.5° |
C5 | C4 | H2 | 118.4° | 119.7° |
C2 | C1 | C5 | 117.3° | 118.3° |
C2 | C1 | C | 120.7° | 120.8° |
C1 | C2 | H9 | 120.2° | 120.4° |
C1 | C5 | N1 | 119.4° | 120.4° |
C5 | C1 | C | 121.9° | 120.9° |
C5 | N1 | C6 | 127.1° | 120.0° |
C5 | N1 | H1 | 116.5° | 119.9° |
C1 | C | H10 | 109.5° | 109.5° |
C1 | C | H11 | 109.4° | 109.5° |
C1 | C | H12 | 109.4° | 109.5° |
N1 | C6 | O | 124.2° | 120.0° |
N1 | C6 | C7 | 113.5° | 120.0° |
C6 | N1 | H1 | 116.4° | 120.0° |
O | C6 | C7 | 122.2° | 120.0° |
C6 | C7 | C8 | 115.5° | 109.5° |
C6 | C7 | H3 | 108.0° | 109.4° |
C6 | C7 | H4 | 107.9° | 109.5° |
C8 | C9 | C10 | 60.2° | 60.4° |
C9 | C8 | C7 | 118.3° | 119.3° |
C9 | C8 | C10 | 60.3° | 59.8° |
C9 | C8 | C13 | 114.4° | 118.7° |
C8 | C9 | H17 | 120.0° | 117.4° |
C8 | C9 | H18 | 120.0° | 117.5° |
C9 | C10 | C8 | 59.5° | 59.8° |
C9 | C10 | C11 | 117.5° | 118.2° |
C9 | C10 | H5 | 119.2° | 119.7° |
C10 | C9 | H17 | 120.0° | 117.5° |
C10 | C9 | H18 | 120.0° | 117.5° |
C7 | C8 | C10 | 121.8° | 121.4° |
C7 | C8 | C13 | 120.5° | 117.4° |
C8 | C7 | H3 | 107.9° | 109.4° |
C8 | C7 | H4 | 108.0° | 109.4° |
C10 | C8 | C13 | 106.8° | 106.6° |
C8 | C10 | C11 | 107.7° | 106.6° |
C8 | C10 | H5 | 119.3° | 121.3° |
C8 | C13 | C12 | 103.2° | 104.2° |
C8 | C13 | H6 | 111.0° | 110.5° |
C8 | C13 | H7 | 111.0° | 110.5° |
C10 | C11 | C12 | 103.6° | 103.9° |
C11 | C10 | H5 | 118.8° | 117.4° |
C10 | C11 | H15 | 110.9° | 110.5° |
C10 | C11 | H16 | 110.9° | 110.5° |
C13 | C12 | C11 | 105.1° | 102.5° |
C12 | C13 | H6 | 111.0° | 110.5° |
C12 | C13 | H7 | 111.0° | 110.5° |
C13 | C12 | H13 | 110.6° | 110.8° |
C13 | C12 | H14 | 110.6° | 110.8° |
C11 | C12 | H13 | 110.6° | 110.5° |
C11 | C12 | H14 | 110.5° | 111.4° |
C12 | C11 | H15 | 110.9° | 109.9° |
C12 | C11 | H16 | 110.9° | 111.3° |
H3 | C7 | H4 | 109.5° | 109.5° |
H6 | C13 | H7 | 109.5° | 110.5° |
H10 | C | H11 | 109.5° | 109.5° |
H10 | C | H12 | 109.5° | 109.5° |
H11 | C | H12 | 109.5° | 109.5° |
H13 | C12 | H14 | 109.4° | 110.7° |
H15 | C11 | H16 | 109.5° | 110.5° |
H17 | C9 | H18 | 109.5° | 115.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C3 | C2 | H8 | 180.0° | 179.9° |
C3 | N | C4 | C5 | 0.5° | 0.1° |
N | C3 | C2 | C1 | 0.5° | 0.3° |
C3 | N | C4 | H2 | 179.5° | 179.8° |
N | C3 | C2 | H9 | 179.5° | 179.9° |
C4 | N | C3 | C2 | 0.3° | 0.1° |
N | C4 | C5 | H2 | 180.0° | 179.7° |
N | C4 | C5 | C1 | 0.0° | 0.3° |
N | C4 | C5 | N1 | 179.4° | 179.8° |
C4 | N | C3 | H8 | 179.8° | 180.0° |
C3 | C2 | C1 | H9 | 180.0° | 179.8° |
C3 | C2 | C1 | C5 | 1.0° | 0.5° |
C3 | C2 | C1 | C | 176.7° | 180.0° |
C4 | C5 | C1 | C2 | 0.7° | 0.5° |
C4 | C5 | C1 | N1 | 179.4° | 179.9° |
C4 | C5 | C1 | C | 176.9° | 180.0° |
C4 | C5 | N1 | C6 | 69.0° | 24.7° |
C4 | C5 | N1 | H1 | 111.0° | 154.9° |
C2 | C1 | C5 | C | 177.7° | 179.5° |
C2 | C1 | C5 | N1 | 178.7° | 179.6° |
C1 | C2 | C3 | H8 | 179.5° | 179.8° |
C2 | C1 | C | H10 | 91.2° | 89.5° |
C2 | C1 | C | H11 | 148.8° | 30.5° |
C2 | C1 | C | H12 | 28.8° | 150.5° |
C1 | C5 | N1 | C6 | 111.6° | 155.2° |
C1 | C5 | N1 | H1 | 68.4° | 25.2° |
C1 | C5 | C4 | H2 | 180.0° | 180.0° |
C5 | C1 | C2 | H9 | 179.0° | 179.7° |
C5 | C1 | C | H10 | 91.2° | 90.0° |
C5 | C1 | C | H11 | 28.8° | 150.0° |
C5 | C1 | C | H12 | 148.7° | 30.0° |
N1 | C5 | C1 | C | 3.6° | 0.1° |
C5 | N1 | C6 | H1 | 180.0° | 179.6° |
C5 | N1 | C6 | O | 3.1° | 5.7° |
C5 | N1 | C6 | C7 | 175.5° | 174.3° |
N1 | C5 | C4 | H2 | 0.6° | 0.1° |
C | C1 | C2 | H9 | 3.3° | 0.2° |
C1 | C | H10 | H11 | 120.0° | 120.0° |
C1 | C | H10 | H12 | 120.0° | 120.0° |
C1 | C | H11 | H12 | 120.0° | 120.0° |
N1 | C6 | O | C7 | 178.5° | 180.0° |
N1 | C6 | C7 | C8 | 165.0° | 180.0° |
N1 | C6 | C7 | H3 | 74.1° | 60.1° |
N1 | C6 | C7 | H4 | 44.1° | 60.0° |
O | C6 | C7 | C8 | 13.6° | 0.0° |
O | C6 | N1 | H1 | 176.8° | 174.7° |
O | C6 | C7 | H3 | 107.3° | 120.0° |
O | C6 | C7 | H4 | 134.5° | 120.0° |
C6 | C7 | C8 | C9 | 68.3° | 109.5° |
C6 | C7 | C8 | H3 | 120.9° | 120.0° |
C6 | C7 | C8 | H4 | 120.9° | 120.1° |
C6 | C7 | C8 | C10 | 139.2° | 180.0° |
C6 | C7 | C8 | C13 | 81.3° | 46.1° |
C7 | C6 | N1 | H1 | 4.5° | 5.3° |
C6 | C7 | H3 | H4 | 117.2° | 120.1° |
C8 | C9 | C10 | H17 | 109.5° | 107.6° |
C8 | C9 | C10 | H18 | 109.6° | 107.6° |
C9 | C8 | C7 | C10 | 70.9° | 70.5° |
C9 | C8 | C7 | C13 | 149.6° | 155.6° |
C9 | C8 | C10 | C13 | 109.0° | 113.9° |
C8 | C9 | C10 | C11 | 95.3° | 93.6° |
C9 | C8 | C13 | C12 | 88.6° | 87.8° |
C9 | C8 | C7 | H3 | 170.8° | 130.6° |
C9 | C8 | C7 | H4 | 52.6° | 10.6° |
C8 | C9 | C10 | H5 | 108.8° | 111.1° |
C9 | C8 | C13 | H6 | 30.4° | 30.8° |
C9 | C8 | C13 | H7 | 152.4° | 153.5° |
C8 | C9 | H17 | H18 | 144.7° | 145.5° |
C9 | C10 | C11 | H5 | 156.1° | 155.8° |
C9 | C10 | C11 | C12 | 83.7° | 88.6° |
C9 | C10 | C11 | H15 | 157.2° | 153.5° |
C9 | C10 | C11 | H16 | 35.4° | 30.9° |
C10 | C9 | H17 | H18 | 144.6° | 145.5° |
C7 | C8 | C10 | C13 | 144.2° | 138.1° |
C7 | C8 | C10 | C11 | 141.2° | 138.6° |
C7 | C8 | C13 | C12 | 120.6° | 116.4° |
C8 | C7 | H3 | H4 | 117.3° | 120.0° |
C7 | C8 | C10 | H5 | 1.9° | 0.5° |
C7 | C8 | C13 | H6 | 120.4° | 124.9° |
C7 | C8 | C13 | H7 | 1.6° | 2.3° |
C7 | C8 | C9 | H17 | 3.0° | 3.7° |
C7 | C8 | C9 | H18 | 138.0° | 141.0° |
C8 | C10 | C11 | H5 | 139.6° | 140.0° |
C10 | C8 | C13 | C12 | 24.2° | 23.6° |
C8 | C10 | C11 | C12 | 19.4° | 24.4° |
C10 | C8 | C7 | H3 | 99.9° | 60.0° |
C10 | C8 | C7 | H4 | 18.3° | 60.0° |
C10 | C8 | C13 | H6 | 94.8° | 95.1° |
C10 | C8 | C13 | H7 | 143.2° | 142.3° |
C8 | C10 | C11 | H15 | 138.5° | 142.3° |
C8 | C10 | C11 | H16 | 99.7° | 95.1° |
C13 | C8 | C10 | C11 | 3.0° | 0.6° |
C8 | C13 | C12 | H6 | 119.0° | 118.7° |
C8 | C13 | C12 | H7 | 119.0° | 118.7° |
C8 | C13 | C12 | C11 | 36.6° | 38.4° |
C13 | C8 | C7 | H3 | 39.6° | 73.8° |
C13 | C8 | C7 | H4 | 157.8° | 166.2° |
C13 | C8 | C10 | H5 | 142.4° | 137.5° |
C8 | C13 | H6 | H7 | 122.9° | 122.6° |
C8 | C13 | C12 | H13 | 155.9° | 156.2° |
C8 | C13 | C12 | H14 | 82.7° | 80.5° |
C13 | C8 | C9 | H17 | 154.4° | 159.0° |
C13 | C8 | C9 | H18 | 13.4° | 14.3° |
C10 | C11 | C12 | C13 | 34.8° | 38.7° |
C10 | C11 | C12 | H15 | 119.0° | 118.3° |
C10 | C11 | C12 | H16 | 119.1° | 118.9° |
C10 | C11 | C12 | H13 | 154.1° | 156.7° |
C10 | C11 | C12 | H14 | 84.6° | 79.8° |
C10 | C11 | H15 | H16 | 122.7° | 122.6° |
C11 | C10 | C9 | H17 | 155.2° | 158.8° |
C11 | C10 | C9 | H18 | 14.3° | 14.0° |
C13 | C12 | C11 | H13 | 119.3° | 118.0° |
C13 | C12 | C11 | H14 | 119.3° | 118.5° |
C12 | C13 | H6 | H7 | 123.0° | 122.6° |
C13 | C12 | H13 | H14 | 122.0° | 123.3° |
C13 | C12 | C11 | H15 | 153.8° | 157.0° |
C13 | C12 | C11 | H16 | 84.3° | 80.3° |
C12 | C11 | C10 | H5 | 120.2° | 115.6° |
C11 | C12 | C13 | H6 | 82.4° | 80.3° |
C11 | C12 | C13 | H7 | 155.6° | 157.0° |
C11 | C12 | H13 | H14 | 122.0° | 123.9° |
C12 | C11 | H15 | H16 | 122.7° | 123.2° |
H5 | C10 | C11 | H15 | 1.2° | 2.3° |
H5 | C10 | C11 | H16 | 120.7° | 124.9° |
H5 | C10 | C9 | H17 | 0.8° | 3.5° |
H5 | C10 | C9 | H18 | 141.7° | 141.3° |
H6 | C13 | C12 | H13 | 37.0° | 37.5° |
H6 | C13 | C12 | H14 | 158.3° | 160.8° |
H7 | C13 | C12 | H13 | 85.1° | 85.1° |
H7 | C13 | C12 | H14 | 36.3° | 38.1° |
H8 | C3 | C2 | H9 | 0.5° | 0.0° |
H10 | C | H11 | H12 | 120.0° | 120.0° |
H13 | C12 | C11 | H15 | 86.9° | 85.0° |
H13 | C12 | C11 | H16 | 35.0° | 37.8° |
H14 | C12 | C11 | H15 | 34.5° | 38.5° |
H14 | C12 | C11 | H16 | 156.4° | 161.2° |