F0N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
O | C | doub | 1.21Å | 1.28Å | |
C3 | C | sing | 1.48Å | 1.48Å | |
C3 | C2 | doub | 1.40Å | 1.46Å | Aromatic |
C | N | sing | 1.34Å | 1.35Å | |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | sing | 1.51Å | 1.46Å | |
N | C1 | sing | 1.47Å | 1.48Å | |
C1 | C8 | sing | 1.51Å | 1.49Å | |
C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | C15 | sing | 1.47Å | 1.48Å | Aromatic |
C8 | C9 | doub | 1.34Å | 1.48Å | Aromatic |
C15 | C10 | doub | 1.41Å | 1.48Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C9 | C16 | sing | 1.51Å | 1.48Å | |
C9 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | N1 | sing | 1.38Å | 1.35Å | Aromatic |
C16 | N2 | sing | 1.49Å | 1.48Å | |
C16 | C17 | sing | 1.55Å | 1.51Å | |
N2 | C19 | sing | 1.48Å | 1.48Å | |
C17 | C18 | sing | 1.55Å | 1.52Å | |
C19 | C18 | sing | 1.54Å | 1.52Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H5 | sing | 1.08Å | 1.08Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C18 | H15 | sing | 1.09Å | 1.10Å | |
C18 | H16 | sing | 1.09Å | 1.10Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
N2 | H19 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C4 | C3 | 116.2° | 119.8° |
C4 | C5 | C6 | 122.4° | 120.3° |
C5 | C4 | H2 | 121.9° | 120.0° |
C4 | C5 | H3 | 118.8° | 119.9° |
C4 | C3 | C | 136.5° | 132.3° |
C4 | C3 | C2 | 122.1° | 119.4° |
C3 | C4 | H2 | 121.9° | 120.1° |
C5 | C6 | C7 | 121.9° | 120.2° |
C6 | C5 | H3 | 118.8° | 119.8° |
C5 | C6 | H4 | 119.1° | 119.9° |
O | C | C3 | 122.4° | 124.9° |
O | C | N | 122.8° | 124.9° |
C | C3 | C2 | 101.3° | 108.3° |
C3 | C | N | 114.8° | 110.2° |
C3 | C2 | C7 | 120.0° | 120.3° |
C3 | C2 | C1 | 111.1° | 106.4° |
C | N | C1 | 107.3° | 108.8° |
C | N | H9 | 126.4° | 125.5° |
C6 | C7 | C2 | 117.4° | 119.9° |
C7 | C6 | H4 | 119.1° | 119.9° |
C6 | C7 | H5 | 121.3° | 120.1° |
C7 | C2 | C1 | 128.9° | 133.3° |
C2 | C7 | H5 | 121.3° | 120.0° |
C2 | C1 | N | 105.5° | 106.3° |
C2 | C1 | C8 | 115.7° | 110.0° |
C2 | C1 | H10 | 108.4° | 110.2° |
N | C1 | C8 | 110.8° | 110.1° |
C1 | N | H9 | 126.4° | 125.7° |
N | C1 | H10 | 108.2° | 110.1° |
C1 | C8 | C15 | 122.1° | 126.5° |
C1 | C8 | C9 | 132.1° | 126.5° |
C8 | C1 | H10 | 108.1° | 110.0° |
C13 | C14 | C15 | 118.1° | 119.8° |
C14 | C13 | C12 | 121.4° | 120.5° |
C14 | C13 | H6 | 119.3° | 119.7° |
C13 | C14 | H13 | 120.9° | 120.1° |
C14 | C15 | C8 | 134.5° | 134.0° |
C14 | C15 | C10 | 121.2° | 119.9° |
C15 | C14 | H13 | 121.0° | 120.1° |
C13 | C12 | C11 | 121.8° | 120.7° |
C12 | C13 | H6 | 119.3° | 119.8° |
C13 | C12 | H12 | 119.1° | 119.7° |
C15 | C8 | C9 | 105.8° | 107.0° |
C8 | C15 | C10 | 104.3° | 106.0° |
C8 | C9 | C16 | 125.4° | 125.0° |
C8 | C9 | N1 | 108.3° | 109.9° |
C15 | C10 | C11 | 118.1° | 119.3° |
C15 | C10 | N1 | 109.2° | 107.2° |
C12 | C11 | C10 | 119.4° | 119.8° |
C12 | C11 | H11 | 120.3° | 120.1° |
C11 | C12 | H12 | 119.1° | 119.7° |
C16 | C9 | N1 | 126.2° | 125.1° |
C9 | C16 | N2 | 109.3° | 110.7° |
C9 | C16 | C17 | 112.0° | 110.6° |
C9 | C16 | H14 | 110.0° | 110.7° |
C9 | N1 | C10 | 112.4° | 109.9° |
C9 | N1 | H1 | 123.8° | 125.1° |
C11 | C10 | N1 | 132.7° | 133.5° |
C10 | C11 | H11 | 120.3° | 120.1° |
C10 | N1 | H1 | 123.8° | 125.0° |
N2 | C16 | C17 | 106.2° | 103.2° |
C16 | N2 | C19 | 108.0° | 105.8° |
N2 | C16 | H14 | 110.0° | 110.7° |
C16 | N2 | H19 | 109.8° | 111.0° |
C16 | C17 | C18 | 104.3° | 102.9° |
C16 | C17 | H7 | 110.7° | 110.8° |
C16 | C17 | H8 | 110.8° | 110.9° |
C17 | C16 | H14 | 109.5° | 110.7° |
N2 | C19 | C18 | 107.2° | 107.0° |
N2 | C19 | H17 | 110.0° | 109.8° |
N2 | C19 | H18 | 110.1° | 110.0° |
C19 | N2 | H19 | 109.8° | 111.0° |
C17 | C18 | C19 | 106.2° | 105.1° |
C18 | C17 | H7 | 110.8° | 110.7° |
C18 | C17 | H8 | 110.7° | 110.7° |
C17 | C18 | H15 | 110.3° | 110.3° |
C17 | C18 | H16 | 110.3° | 110.3° |
C19 | C18 | H15 | 110.3° | 110.3° |
C19 | C18 | H16 | 110.3° | 110.4° |
C18 | C19 | H17 | 110.1° | 110.0° |
C18 | C19 | H18 | 110.1° | 110.0° |
H7 | C17 | H8 | 109.4° | 110.7° |
H15 | C18 | H16 | 109.5° | 110.3° |
H17 | C19 | H18 | 109.4° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C4 | C3 | H2 | 180.0° | 179.7° |
C4 | C5 | C6 | H3 | 180.0° | 180.0° |
C5 | C4 | C3 | C | 179.8° | 179.9° |
C5 | C4 | C3 | C2 | 0.1° | 0.0° |
C4 | C5 | C6 | C7 | 0.3° | 0.0° |
C4 | C5 | C6 | H4 | 179.8° | 179.9° |
C3 | C4 | C5 | C6 | 0.4° | 0.0° |
C4 | C3 | C | O | 0.1° | 0.0° |
C4 | C3 | C | C2 | 179.8° | 179.9° |
C4 | C3 | C | N | 179.9° | 180.0° |
C4 | C3 | C2 | C7 | 0.7° | 0.0° |
C4 | C3 | C2 | C1 | 179.6° | 180.0° |
C3 | C4 | C5 | H3 | 179.6° | 180.0° |
C5 | C6 | C7 | H4 | 180.0° | 180.0° |
C5 | C6 | C7 | C2 | 0.3° | 0.1° |
C6 | C5 | C4 | H2 | 179.6° | 179.7° |
C5 | C6 | C7 | H5 | 179.6° | 180.0° |
O | C | C3 | N | 180.0° | 180.0° |
O | C | C3 | C2 | 179.9° | 179.9° |
O | C | N | C1 | 179.6° | 180.0° |
O | C | N | H9 | 0.4° | 0.0° |
C | C3 | C2 | C7 | 179.5° | 180.0° |
C | C3 | C2 | C1 | 0.6° | 0.1° |
C3 | C | N | C1 | 0.4° | 0.0° |
C | C3 | C4 | H2 | 0.2° | 0.2° |
C3 | C | N | H9 | 179.7° | 180.0° |
C2 | C3 | C | N | 0.2° | 0.0° |
C3 | C2 | C7 | C6 | 0.8° | 0.0° |
C3 | C2 | C7 | C1 | 178.7° | 179.9° |
C3 | C2 | C1 | N | 0.8° | 0.1° |
C3 | C2 | C1 | C8 | 123.6° | 119.3° |
C2 | C3 | C4 | H2 | 179.9° | 179.7° |
C3 | C2 | C7 | H5 | 179.2° | 179.9° |
C3 | C2 | C1 | H10 | 114.9° | 119.2° |
C | N | C1 | C2 | 0.7° | 0.1° |
C | N | C1 | H9 | 180.0° | 180.0° |
C | N | C1 | C8 | 126.5° | 119.2° |
C | N | C1 | H10 | 115.1° | 119.3° |
C6 | C7 | C2 | H5 | 180.0° | 179.9° |
C6 | C7 | C2 | C1 | 179.4° | 179.9° |
C7 | C6 | C5 | H3 | 179.8° | 180.0° |
C7 | C2 | C1 | N | 179.6° | 179.9° |
C7 | C2 | C1 | C8 | 57.6° | 60.8° |
C2 | C7 | C6 | H4 | 179.6° | 179.9° |
C7 | C2 | C1 | H10 | 63.9° | 60.7° |
C2 | C1 | N | C8 | 125.8° | 119.1° |
C2 | C1 | N | H10 | 115.9° | 119.4° |
C2 | C1 | C8 | H10 | 121.7° | 121.6° |
C2 | C1 | C8 | C15 | 46.5° | 73.2° |
C2 | C1 | C8 | C9 | 133.8° | 106.4° |
C1 | C2 | C7 | H5 | 0.5° | 0.0° |
C2 | C1 | N | H9 | 179.3° | 179.9° |
N | C1 | C8 | H10 | 118.4° | 121.5° |
N | C1 | C8 | C15 | 73.4° | 43.6° |
N | C1 | C8 | C9 | 106.3° | 136.8° |
C1 | C8 | C15 | C14 | 0.5° | 0.2° |
C1 | C8 | C15 | C9 | 179.8° | 179.7° |
C1 | C8 | C15 | C10 | 179.8° | 179.9° |
C1 | C8 | C9 | C16 | 0.7° | 0.3° |
C1 | C8 | C9 | N1 | 179.3° | 179.9° |
C8 | C1 | N | H9 | 53.5° | 60.8° |
C13 | C14 | C15 | H13 | 180.0° | 179.7° |
C14 | C13 | C12 | H6 | 180.0° | 179.8° |
C13 | C14 | C15 | C8 | 179.7° | 179.9° |
C13 | C14 | C15 | C10 | 0.1° | 0.3° |
C14 | C13 | C12 | C11 | 0.3° | 0.2° |
C14 | C13 | C12 | H12 | 179.7° | 179.9° |
C15 | C14 | C13 | C12 | 0.1° | 0.3° |
C14 | C15 | C8 | C10 | 179.7° | 179.8° |
C14 | C15 | C8 | C9 | 179.7° | 179.9° |
C14 | C15 | C10 | C11 | 0.1° | 0.2° |
C14 | C15 | C10 | N1 | 179.8° | 179.9° |
C15 | C14 | C13 | H6 | 179.9° | 179.9° |
C13 | C12 | C11 | H12 | 180.0° | 179.7° |
C13 | C12 | C11 | C10 | 0.3° | 0.0° |
C13 | C12 | C11 | H11 | 179.7° | 180.0° |
C12 | C13 | C14 | H13 | 179.9° | 180.0° |
C15 | C8 | C9 | C16 | 179.0° | 180.0° |
C15 | C8 | C9 | N1 | 0.4° | 0.4° |
C8 | C15 | C10 | C11 | 179.8° | 180.0° |
C8 | C15 | C10 | N1 | 0.5° | 0.0° |
C15 | C8 | C1 | H10 | 168.1° | 165.1° |
C8 | C15 | C14 | H13 | 0.3° | 0.2° |
C9 | C8 | C15 | C10 | 0.0° | 0.2° |
C8 | C9 | C16 | N1 | 178.3° | 179.5° |
C8 | C9 | N1 | C10 | 0.8° | 0.4° |
C8 | C9 | C16 | N2 | 115.7° | 156.4° |
C8 | C9 | C16 | C17 | 127.0° | 89.8° |
C8 | C9 | N1 | H1 | 179.2° | 179.9° |
C9 | C8 | C1 | H10 | 12.1° | 15.2° |
C8 | C9 | C16 | H14 | 5.1° | 33.3° |
C15 | C10 | C11 | C12 | 0.1° | 0.0° |
C15 | C10 | N1 | C9 | 0.8° | 0.2° |
C15 | C10 | C11 | N1 | 179.6° | 179.9° |
C15 | C10 | N1 | H1 | 179.2° | 180.0° |
C15 | C10 | C11 | H11 | 179.9° | 179.9° |
C10 | C15 | C14 | H13 | 179.9° | 180.0° |
C12 | C11 | C10 | H11 | 180.0° | 179.9° |
C12 | C11 | C10 | N1 | 179.5° | 180.0° |
C11 | C12 | C13 | H6 | 179.7° | 180.0° |
C16 | C9 | N1 | C10 | 179.4° | 180.0° |
C9 | C16 | N2 | C17 | 120.9° | 118.4° |
C9 | C16 | N2 | H14 | 120.8° | 123.1° |
C9 | C16 | C17 | H14 | 122.2° | 123.1° |
C9 | C16 | N2 | C19 | 145.6° | 157.6° |
C9 | C16 | C17 | C18 | 148.2° | 155.8° |
C16 | C9 | N1 | H1 | 0.6° | 0.3° |
C9 | C16 | C17 | H7 | 92.5° | 85.8° |
C9 | C16 | C17 | H8 | 29.1° | 37.4° |
C9 | C16 | N2 | H19 | 25.8° | 37.1° |
C9 | N1 | C10 | C11 | 179.5° | 179.7° |
C9 | N1 | C10 | H1 | 180.0° | 179.7° |
N1 | C9 | C16 | N2 | 62.7° | 23.1° |
N1 | C9 | C16 | C17 | 54.6° | 90.7° |
N1 | C9 | C16 | H14 | 176.5° | 146.2° |
C11 | C10 | N1 | H1 | 0.5° | 0.0° |
C10 | C11 | C12 | H12 | 179.7° | 179.8° |
N1 | C10 | C11 | H11 | 0.5° | 0.1° |
N2 | C16 | C17 | H14 | 118.7° | 118.4° |
C16 | N2 | C19 | H19 | 119.7° | 120.5° |
N2 | C16 | C17 | C18 | 29.1° | 37.4° |
C16 | N2 | C19 | C18 | 10.1° | 25.3° |
N2 | C16 | C17 | H7 | 148.3° | 155.7° |
N2 | C16 | C17 | H8 | 90.1° | 81.0° |
C16 | N2 | C19 | H17 | 129.8° | 94.0° |
C16 | N2 | C19 | H18 | 109.5° | 144.8° |
C17 | C16 | N2 | C19 | 24.7° | 39.2° |
C16 | C17 | C18 | H7 | 119.2° | 118.4° |
C16 | C17 | C18 | H8 | 119.2° | 118.5° |
C16 | C17 | C18 | C19 | 22.7° | 21.9° |
C16 | C17 | H7 | H8 | 122.4° | 123.4° |
C16 | C17 | C18 | H15 | 96.8° | 96.9° |
C16 | C17 | C18 | H16 | 142.1° | 141.0° |
C17 | C16 | N2 | H19 | 95.1° | 81.3° |
N2 | C19 | C18 | C17 | 8.2° | 1.2° |
N2 | C19 | C18 | H17 | 119.6° | 119.3° |
N2 | C19 | C18 | H18 | 119.7° | 119.5° |
C19 | N2 | C16 | H14 | 93.7° | 79.3° |
N2 | C19 | C18 | H15 | 111.3° | 120.1° |
N2 | C19 | C18 | H16 | 127.7° | 117.8° |
N2 | C19 | H17 | H18 | 121.0° | 121.2° |
C17 | C18 | C19 | H15 | 119.5° | 118.9° |
C17 | C18 | C19 | H16 | 119.5° | 119.0° |
C18 | C17 | H7 | H8 | 122.4° | 123.1° |
C18 | C17 | C16 | H14 | 89.6° | 81.1° |
C17 | C18 | H15 | H16 | 121.5° | 122.1° |
C17 | C18 | C19 | H17 | 111.5° | 118.0° |
C17 | C18 | C19 | H18 | 127.8° | 120.7° |
C19 | C18 | C17 | H7 | 141.9° | 140.3° |
C19 | C18 | C17 | H8 | 96.5° | 96.6° |
C19 | C18 | H15 | H16 | 121.5° | 122.2° |
C18 | C19 | H17 | H18 | 121.1° | 121.2° |
C18 | C19 | N2 | H19 | 109.6° | 95.2° |
H2 | C4 | C5 | H3 | 0.4° | 0.3° |
H3 | C5 | C6 | H4 | 0.2° | 0.1° |
H4 | C6 | C7 | H5 | 0.4° | 0.0° |
H6 | C13 | C12 | H12 | 0.3° | 0.3° |
H6 | C13 | C14 | H13 | 0.1° | 0.2° |
H7 | C17 | C16 | H14 | 29.6° | 37.3° |
H7 | C17 | C18 | H15 | 22.4° | 21.5° |
H7 | C17 | C18 | H16 | 98.7° | 100.6° |
H8 | C17 | C16 | H14 | 151.3° | 160.6° |
H8 | C17 | C18 | H15 | 144.0° | 144.5° |
H8 | C17 | C18 | H16 | 22.9° | 22.5° |
H9 | N | C1 | H10 | 64.8° | 60.7° |
H11 | C11 | C12 | H12 | 0.3° | 0.3° |
H14 | C16 | N2 | H19 | 146.6° | 160.2° |
H15 | C18 | C19 | H17 | 129.1° | 0.9° |
H15 | C18 | C19 | H18 | 8.4° | 120.4° |
H16 | C18 | C19 | H17 | 8.0° | 123.0° |
H16 | C18 | C19 | H18 | 112.7° | 1.7° |
H17 | C19 | N2 | H19 | 10.0° | 145.5° |
H18 | C19 | N2 | H19 | 130.7° | 24.3° |