L8O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C16 | sing | 1.51Å | 1.51Å | |
O | C16 | doub | 1.21Å | 1.21Å | |
C16 | N | sing | 1.35Å | 1.35Å | |
N | C8 | sing | 1.47Å | 1.47Å | |
N | C9 | sing | 1.47Å | 1.48Å | |
C8 | C7 | sing | 1.53Å | 1.54Å | |
C | C1 | sing | 1.51Å | 1.51Å | |
C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.51Å | 1.51Å | |
C7 | C5 | sing | 1.51Å | 1.52Å | |
C7 | C15 | sing | 1.51Å | 1.51Å | |
C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.08Å | 1.08Å | |
C14 | H15 | sing | 1.08Å | 1.08Å | |
C | H16 | sing | 1.09Å | 1.10Å | |
C | H17 | sing | 1.09Å | 1.10Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C3 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C17 | C16 | O | 120.8° | 120.0° |
C17 | C16 | N | 117.3° | 120.0° |
C16 | C17 | H7 | 109.5° | 109.5° |
C16 | C17 | H8 | 109.5° | 109.5° |
C16 | C17 | H9 | 109.5° | 109.4° |
O | C16 | N | 121.8° | 120.0° |
C16 | N | C8 | 126.7° | 121.3° |
C16 | N | C9 | 119.5° | 121.4° |
C8 | N | C9 | 113.6° | 117.3° |
N | C8 | C7 | 117.9° | 107.9° |
N | C8 | H4 | 107.3° | 109.8° |
N | C8 | H5 | 107.3° | 109.8° |
N | C9 | C10 | 112.3° | 109.7° |
N | C9 | H12 | 108.8° | 109.4° |
N | C9 | H13 | 108.7° | 109.4° |
C8 | C7 | C5 | 114.3° | 109.2° |
C8 | C7 | C15 | 110.7° | 110.9° |
C8 | C7 | H3 | 105.3° | 109.2° |
C7 | C8 | H4 | 107.3° | 109.7° |
C7 | C8 | H5 | 107.3° | 109.7° |
C | C1 | C6 | 120.7° | 120.0° |
C | C1 | C2 | 120.9° | 120.0° |
C1 | C | H16 | 109.5° | 109.5° |
C1 | C | H17 | 109.5° | 109.5° |
C1 | C | H18 | 109.5° | 109.5° |
C1 | C6 | C5 | 121.5° | 120.0° |
C6 | C1 | C2 | 118.3° | 120.0° |
C1 | C6 | H2 | 119.3° | 120.0° |
C6 | C5 | C7 | 121.1° | 120.0° |
C6 | C5 | C4 | 118.9° | 120.0° |
C5 | C6 | H2 | 119.2° | 120.0° |
C1 | C2 | C3 | 121.0° | 120.0° |
C1 | C2 | H11 | 119.5° | 120.0° |
C9 | C10 | C15 | 117.1° | 122.3° |
C9 | C10 | C11 | 123.2° | 117.8° |
C10 | C9 | H12 | 108.8° | 109.5° |
C10 | C9 | H13 | 108.8° | 109.5° |
C5 | C7 | C15 | 114.7° | 109.2° |
C7 | C5 | C4 | 119.9° | 120.0° |
C5 | C7 | H3 | 105.4° | 109.2° |
C7 | C15 | C10 | 118.2° | 122.8° |
C7 | C15 | C14 | 122.5° | 117.7° |
C15 | C7 | H3 | 105.6° | 109.1° |
C5 | C4 | C3 | 120.5° | 120.0° |
C5 | C4 | H1 | 119.8° | 120.0° |
C2 | C3 | C4 | 119.8° | 120.0° |
C3 | C2 | H11 | 119.5° | 120.0° |
C2 | C3 | H19 | 120.1° | 120.0° |
C15 | C10 | C11 | 119.6° | 119.9° |
C10 | C15 | C14 | 119.2° | 119.5° |
C10 | C11 | C12 | 120.5° | 120.5° |
C10 | C11 | H10 | 119.8° | 119.7° |
C15 | C14 | C13 | 120.7° | 120.6° |
C15 | C14 | H15 | 119.7° | 119.6° |
C3 | C4 | H1 | 119.7° | 120.0° |
C4 | C3 | H19 | 120.1° | 120.0° |
C11 | C12 | C13 | 120.0° | 119.8° |
C12 | C11 | H10 | 119.8° | 119.8° |
C11 | C12 | H14 | 120.0° | 120.1° |
C14 | C13 | C12 | 120.0° | 119.8° |
C14 | C13 | H6 | 120.0° | 120.1° |
C13 | C14 | H15 | 119.6° | 119.8° |
C12 | C13 | H6 | 120.0° | 120.1° |
C13 | C12 | H14 | 120.0° | 120.1° |
H4 | C8 | H5 | 109.5° | 109.8° |
H7 | C17 | H8 | 109.5° | 109.5° |
H7 | C17 | H9 | 109.5° | 109.4° |
H8 | C17 | H9 | 109.5° | 109.5° |
H12 | C9 | H13 | 109.5° | 109.3° |
H16 | C | H17 | 109.5° | 109.4° |
H16 | C | H18 | 109.4° | 109.4° |
H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C17 | C16 | O | N | 176.9° | 179.9° |
C17 | C16 | N | C8 | 8.7° | 175.5° |
C17 | C16 | N | C9 | 175.4° | 4.6° |
C16 | C17 | H7 | H8 | 120.0° | 120.1° |
C16 | C17 | H7 | H9 | 120.0° | 119.9° |
C16 | C17 | H8 | H9 | 120.0° | 119.9° |
O | C16 | N | C8 | 168.3° | 4.4° |
O | C16 | N | C9 | 7.6° | 175.5° |
O | C16 | C17 | H7 | 0.0° | 174.6° |
O | C16 | C17 | H8 | 120.0° | 65.3° |
O | C16 | C17 | H9 | 120.0° | 54.6° |
C16 | N | C8 | C9 | 176.1° | 179.9° |
C16 | N | C8 | C7 | 175.6° | 115.9° |
C16 | N | C9 | C10 | 135.5° | 135.6° |
C16 | N | C8 | H4 | 54.4° | 3.7° |
C16 | N | C8 | H5 | 63.2° | 124.6° |
N | C16 | C17 | H7 | 177.0° | 5.5° |
N | C16 | C17 | H8 | 57.0° | 114.6° |
N | C16 | C17 | H9 | 63.0° | 125.5° |
C16 | N | C9 | H12 | 104.0° | 104.3° |
C16 | N | C9 | H13 | 15.1° | 15.5° |
N | C8 | C7 | H4 | 121.2° | 119.6° |
N | C8 | C7 | H5 | 121.2° | 119.6° |
C8 | N | C9 | C10 | 48.1° | 44.5° |
N | C8 | C7 | C5 | 166.2° | 167.8° |
N | C8 | C7 | C15 | 35.0° | 47.4° |
N | C8 | C7 | H3 | 78.6° | 72.9° |
N | C8 | H4 | H5 | 116.2° | 120.9° |
C8 | N | C9 | H12 | 72.3° | 75.7° |
C8 | N | C9 | H13 | 168.5° | 164.6° |
C9 | N | C8 | C7 | 8.4° | 64.2° |
N | C9 | C10 | H12 | 120.4° | 120.1° |
N | C9 | C10 | H13 | 120.4° | 120.1° |
N | C9 | C10 | C15 | 44.3° | 11.6° |
N | C9 | C10 | C11 | 137.5° | 169.1° |
C9 | N | C8 | H4 | 129.6° | 176.2° |
C9 | N | C8 | H5 | 112.8° | 55.3° |
N | C9 | H12 | H13 | 118.7° | 119.8° |
C8 | C7 | C5 | C6 | 42.0° | 118.6° |
C8 | C7 | C5 | C15 | 129.3° | 121.4° |
C8 | C7 | C5 | H3 | 115.1° | 119.3° |
C8 | C7 | C15 | H3 | 113.4° | 120.3° |
C8 | C7 | C5 | C4 | 134.0° | 61.4° |
C8 | C7 | C15 | C10 | 40.6° | 20.1° |
C8 | C7 | C15 | C14 | 142.2° | 160.0° |
C7 | C8 | H4 | H5 | 116.2° | 120.7° |
C | C1 | C6 | C2 | 176.3° | 180.0° |
C | C1 | C6 | C5 | 175.2° | 180.0° |
C | C1 | C2 | C3 | 174.5° | 179.9° |
C | C1 | C6 | H2 | 4.8° | 0.0° |
C | C1 | C2 | H11 | 5.5° | 0.0° |
C1 | C | H16 | H17 | 120.0° | 120.0° |
C1 | C | H16 | H18 | 120.0° | 120.1° |
C1 | C | H17 | H18 | 120.0° | 120.1° |
C1 | C6 | C5 | H2 | 180.0° | 180.0° |
C1 | C6 | C5 | C7 | 175.6° | 180.0° |
C1 | C6 | C5 | C4 | 0.4° | 0.0° |
C6 | C1 | C2 | C3 | 1.8° | 0.1° |
C6 | C1 | C2 | H11 | 178.2° | 180.0° |
C6 | C1 | C | H16 | 91.9° | 90.0° |
C6 | C1 | C | H17 | 148.1° | 150.0° |
C6 | C1 | C | H18 | 28.1° | 30.0° |
C5 | C6 | C1 | C2 | 1.1° | 0.0° |
C6 | C5 | C7 | C4 | 176.0° | 180.0° |
C6 | C5 | C7 | C15 | 87.2° | 120.0° |
C6 | C5 | C4 | C3 | 1.3° | 0.0° |
C6 | C5 | C4 | H1 | 178.6° | 179.7° |
C6 | C5 | C7 | H3 | 157.1° | 0.7° |
C1 | C2 | C3 | H11 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 1.0° | 0.1° |
C2 | C1 | C6 | H2 | 178.9° | 180.0° |
C2 | C1 | C | H16 | 91.9° | 90.0° |
C2 | C1 | C | H17 | 28.1° | 30.0° |
C2 | C1 | C | H18 | 148.1° | 150.0° |
C1 | C2 | C3 | H19 | 179.0° | 179.7° |
C9 | C10 | C15 | C7 | 1.9° | 1.4° |
C9 | C10 | C15 | C11 | 178.2° | 179.3° |
C9 | C10 | C15 | C14 | 179.2° | 178.6° |
C9 | C10 | C11 | C12 | 178.0° | 178.8° |
C9 | C10 | C11 | H10 | 1.9° | 1.1° |
C10 | C9 | H12 | H13 | 118.8° | 120.0° |
C5 | C7 | C15 | H3 | 115.6° | 119.3° |
C5 | C7 | C15 | C10 | 171.6° | 140.5° |
C5 | C7 | C15 | C14 | 11.1° | 39.6° |
C7 | C5 | C4 | C3 | 174.8° | 180.0° |
C7 | C5 | C4 | H1 | 5.3° | 0.3° |
C7 | C5 | C6 | H2 | 4.4° | 0.0° |
C5 | C7 | C8 | H4 | 45.0° | 72.6° |
C5 | C7 | C8 | H5 | 72.6° | 48.2° |
C15 | C7 | C5 | C4 | 96.8° | 60.1° |
C7 | C15 | C10 | C14 | 177.4° | 180.0° |
C7 | C15 | C10 | C11 | 176.4° | 179.3° |
C7 | C15 | C14 | C13 | 176.0° | 179.5° |
C15 | C7 | C8 | H4 | 86.2° | 167.0° |
C15 | C7 | C8 | H5 | 156.2° | 72.2° |
C7 | C15 | C14 | H15 | 4.0° | 0.4° |
C5 | C4 | C3 | C2 | 0.6° | 0.0° |
C5 | C4 | C3 | H1 | 180.0° | 179.7° |
C4 | C5 | C6 | H2 | 179.6° | 180.0° |
C4 | C5 | C7 | H3 | 18.9° | 179.3° |
C5 | C4 | C3 | H19 | 179.4° | 179.7° |
C2 | C3 | C4 | H19 | 180.0° | 179.7° |
C2 | C3 | C4 | H1 | 179.3° | 179.7° |
C15 | C10 | C11 | C12 | 0.1° | 0.5° |
C10 | C15 | C14 | C13 | 1.3° | 0.5° |
C10 | C15 | C7 | H3 | 72.8° | 100.2° |
C15 | C10 | C11 | H10 | 180.0° | 179.5° |
C15 | C10 | C9 | H12 | 76.1° | 108.5° |
C15 | C10 | C9 | H13 | 164.7° | 131.6° |
C10 | C15 | C14 | H15 | 178.7° | 179.7° |
C11 | C10 | C15 | C14 | 1.0° | 0.7° |
C10 | C11 | C12 | H10 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.9° | 0.1° |
C11 | C10 | C9 | H12 | 102.1° | 70.8° |
C11 | C10 | C9 | H13 | 17.1° | 49.0° |
C10 | C11 | C12 | H14 | 179.1° | 179.9° |
C15 | C14 | C13 | H15 | 180.0° | 179.9° |
C15 | C14 | C13 | C12 | 0.5° | 0.0° |
C14 | C15 | C7 | H3 | 104.4° | 79.7° |
C15 | C14 | C13 | H6 | 179.6° | 180.0° |
C4 | C3 | C2 | H11 | 179.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.6° | 0.2° |
C11 | C12 | C13 | H14 | 180.0° | 180.0° |
C11 | C12 | C13 | H6 | 179.4° | 179.8° |
C14 | C13 | C12 | H6 | 180.0° | 179.9° |
C14 | C13 | C12 | H14 | 179.4° | 179.8° |
C13 | C12 | C11 | H10 | 179.1° | 180.0° |
C12 | C13 | C14 | H15 | 179.5° | 179.9° |
H1 | C4 | C3 | H19 | 0.7° | 0.0° |
H3 | C7 | C8 | H4 | 160.2° | 46.7° |
H3 | C7 | C8 | H5 | 42.6° | 167.5° |
H6 | C13 | C12 | H14 | 0.6° | 0.2° |
H6 | C13 | C14 | H15 | 0.4° | 0.2° |
H7 | C17 | H8 | H9 | 120.0° | 119.9° |
H10 | C11 | C12 | H14 | 0.9° | 0.0° |
H11 | C2 | C3 | H19 | 1.0° | 0.4° |
H16 | C | H17 | H18 | 119.9° | 119.9° |