L7C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | doub | 1.32Å | 1.34Å | Aromatic |
C | C3 | sing | 1.38Å | 1.39Å | Aromatic |
N | C1 | sing | 1.32Å | 1.36Å | Aromatic |
C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | N1 | sing | 1.40Å | 1.36Å | |
C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
N1 | C5 | sing | 1.35Å | 1.34Å | |
C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.51Å | 1.51Å | |
C6 | C7 | sing | 1.55Å | 1.52Å | |
C6 | C9 | sing | 1.55Å | 1.53Å | |
C5 | O | doub | 1.21Å | 1.22Å | |
C7 | C8 | sing | 1.54Å | 1.52Å | |
C9 | N2 | sing | 1.47Å | 1.46Å | |
N2 | C8 | sing | 1.47Å | 1.46Å | |
N2 | C10 | sing | 1.35Å | 1.34Å | |
O1 | C10 | doub | 1.21Å | 1.22Å | |
C10 | C11 | sing | 1.51Å | 1.51Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
F | C17 | sing | 1.35Å | 1.35Å | |
C12 | C13 | sing | 1.51Å | 1.52Å | |
C17 | C13 | doub | 1.38Å | 1.50Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | H1 | sing | 1.08Å | 1.08Å | |
C16 | H2 | sing | 1.08Å | 1.08Å | |
C14 | H3 | sing | 1.08Å | 1.08Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.09Å | 1.10Å | |
N1 | H16 | sing | 0.97Å | 1.00Å | |
C2 | H17 | sing | 1.08Å | 1.08Å | |
C4 | H18 | sing | 1.08Å | 1.08Å | |
C3 | H19 | sing | 1.08Å | 1.08Å | |
C | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | C3 | 120.5° | 120.9° |
C | N | C1 | 122.3° | 121.6° |
N | C | H20 | 119.8° | 119.5° |
C | C3 | C4 | 119.0° | 119.3° |
C | C3 | H19 | 120.5° | 120.3° |
C3 | C | H20 | 119.7° | 119.6° |
N | C1 | N1 | 116.2° | 119.7° |
N | C1 | C2 | 118.7° | 120.7° |
C3 | C4 | C2 | 119.5° | 118.5° |
C3 | C4 | H18 | 120.2° | 120.7° |
C4 | C3 | H19 | 120.5° | 120.4° |
N1 | C1 | C2 | 125.1° | 119.7° |
C1 | N1 | C5 | 125.9° | 120.0° |
C1 | N1 | H16 | 117.1° | 120.0° |
C1 | C2 | C4 | 119.9° | 119.1° |
C1 | C2 | H17 | 120.0° | 120.5° |
N1 | C5 | C6 | 115.9° | 120.0° |
N1 | C5 | O | 125.0° | 120.0° |
C5 | N1 | H16 | 117.1° | 120.1° |
C4 | C2 | H17 | 120.1° | 120.4° |
C2 | C4 | H18 | 120.3° | 120.8° |
C5 | C6 | C7 | 111.2° | 111.0° |
C5 | C6 | C9 | 111.2° | 110.9° |
C6 | C5 | O | 119.0° | 120.0° |
C5 | C6 | H15 | 109.6° | 110.9° |
C7 | C6 | C9 | 105.8° | 101.5° |
C6 | C7 | C8 | 108.0° | 102.9° |
C6 | C7 | H11 | 109.9° | 110.7° |
C6 | C7 | H12 | 109.9° | 110.9° |
C7 | C6 | H15 | 109.5° | 111.0° |
C6 | C9 | N2 | 104.4° | 104.7° |
C6 | C9 | H13 | 110.7° | 110.7° |
C6 | C9 | H14 | 110.7° | 110.2° |
C9 | C6 | H15 | 109.4° | 111.2° |
C7 | C8 | N2 | 104.4° | 107.3° |
C7 | C8 | H9 | 110.8° | 109.9° |
C7 | C8 | H10 | 110.7° | 110.0° |
C8 | C7 | H11 | 109.8° | 110.7° |
C8 | C7 | H12 | 109.8° | 110.7° |
C9 | N2 | C8 | 113.4° | 108.7° |
C9 | N2 | C10 | 122.1° | 125.7° |
N2 | C9 | H13 | 110.7° | 110.3° |
N2 | C9 | H14 | 110.7° | 110.4° |
C8 | N2 | C10 | 124.5° | 125.6° |
N2 | C8 | H9 | 110.7° | 109.9° |
N2 | C8 | H10 | 110.7° | 109.9° |
N2 | C10 | O1 | 122.4° | 119.9° |
N2 | C10 | C11 | 119.2° | 120.0° |
O1 | C10 | C11 | 118.4° | 120.0° |
C10 | C11 | C12 | 111.5° | 109.5° |
C10 | C11 | H7 | 109.0° | 109.5° |
C10 | C11 | H8 | 109.0° | 109.4° |
C11 | C12 | C13 | 113.7° | 109.5° |
C11 | C12 | H5 | 108.4° | 109.5° |
C11 | C12 | H6 | 108.4° | 109.5° |
C12 | C11 | H7 | 109.0° | 109.5° |
C12 | C11 | H8 | 108.9° | 109.5° |
F | C17 | C13 | 121.6° | 120.0° |
F | C17 | C18 | 119.4° | 120.0° |
C12 | C13 | C17 | 120.9° | 120.0° |
C12 | C13 | C15 | 120.8° | 120.0° |
C13 | C12 | H5 | 108.4° | 109.4° |
C13 | C12 | H6 | 108.4° | 109.5° |
C13 | C17 | C18 | 119.0° | 119.9° |
C17 | C13 | C15 | 118.3° | 120.0° |
C17 | C18 | C16 | 120.2° | 120.0° |
C17 | C18 | H1 | 119.9° | 120.0° |
C13 | C15 | C14 | 120.4° | 120.1° |
C13 | C15 | H4 | 119.8° | 120.0° |
C18 | C16 | C14 | 121.0° | 120.0° |
C16 | C18 | H1 | 119.9° | 120.0° |
C18 | C16 | H2 | 119.5° | 120.0° |
C15 | C14 | C16 | 121.1° | 120.0° |
C15 | C14 | H3 | 119.4° | 120.0° |
C14 | C15 | H4 | 119.8° | 120.0° |
C14 | C16 | H2 | 119.5° | 120.0° |
C16 | C14 | H3 | 119.5° | 120.0° |
H5 | C12 | H6 | 109.5° | 109.5° |
H7 | C11 | H8 | 109.5° | 109.5° |
H9 | C8 | H10 | 109.5° | 109.9° |
H11 | C7 | H12 | 109.4° | 110.7° |
H13 | C9 | H14 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C | C3 | H20 | 180.0° | 179.9° |
N | C | C3 | C4 | 0.0° | 0.3° |
C | N | C1 | N1 | 179.9° | 179.9° |
C | N | C1 | C2 | 0.7° | 0.3° |
N | C | C3 | H19 | 180.0° | 180.0° |
C3 | C | N | C1 | 0.3° | 0.0° |
C | C3 | C4 | H19 | 180.0° | 179.7° |
C | C3 | C4 | C2 | 0.0° | 0.2° |
C | C3 | C4 | H18 | 180.0° | 179.7° |
N | C1 | N1 | C2 | 179.2° | 179.7° |
N | C1 | N1 | C5 | 175.0° | 5.4° |
N | C1 | C2 | C4 | 0.7° | 0.3° |
N | C1 | N1 | H16 | 5.0° | 174.7° |
N | C1 | C2 | H17 | 179.3° | 179.7° |
C1 | N | C | H20 | 179.7° | 180.0° |
C3 | C4 | C2 | C1 | 0.4° | 0.0° |
C3 | C4 | C2 | H18 | 180.0° | 180.0° |
C3 | C4 | C2 | H17 | 179.6° | 180.0° |
C4 | C3 | C | H20 | 179.9° | 179.8° |
C1 | N1 | C5 | H16 | 180.0° | 179.9° |
N1 | C1 | C2 | C4 | 179.9° | 180.0° |
C1 | N1 | C5 | C6 | 170.1° | 174.9° |
C1 | N1 | C5 | O | 7.7° | 5.1° |
N1 | C1 | C2 | H17 | 0.1° | 0.0° |
C2 | C1 | N1 | C5 | 4.2° | 174.9° |
C1 | C2 | C4 | H17 | 180.0° | 180.0° |
C2 | C1 | N1 | H16 | 175.8° | 5.0° |
C1 | C2 | C4 | H18 | 179.6° | 180.0° |
N1 | C5 | C6 | O | 177.9° | 180.0° |
N1 | C5 | C6 | C7 | 110.6° | 61.5° |
N1 | C5 | C6 | C9 | 131.9° | 173.5° |
N1 | C5 | C6 | H15 | 10.7° | 62.4° |
C2 | C4 | C3 | H19 | 180.0° | 180.0° |
C5 | C6 | C7 | C9 | 120.9° | 117.9° |
C5 | C6 | C7 | H15 | 121.3° | 123.8° |
C5 | C6 | C9 | H15 | 121.3° | 123.9° |
C5 | C6 | C7 | C8 | 102.3° | 153.6° |
C5 | C6 | C9 | N2 | 100.7° | 155.2° |
C5 | C6 | C7 | H11 | 17.5° | 88.1° |
C5 | C6 | C7 | H12 | 137.9° | 35.2° |
C5 | C6 | C9 | H13 | 140.1° | 36.3° |
C5 | C6 | C9 | H14 | 18.5° | 86.1° |
C6 | C5 | N1 | H16 | 9.9° | 5.0° |
C7 | C6 | C9 | H15 | 117.9° | 118.2° |
C7 | C6 | C5 | O | 71.6° | 118.6° |
C6 | C7 | C8 | H11 | 119.8° | 118.3° |
C6 | C7 | C8 | H12 | 119.8° | 118.5° |
C7 | C6 | C9 | N2 | 20.1° | 37.3° |
C6 | C7 | C8 | N2 | 9.4° | 22.2° |
C6 | C7 | C8 | H9 | 109.7° | 97.3° |
C6 | C7 | C8 | H10 | 128.6° | 141.7° |
C6 | C7 | H11 | H12 | 120.7° | 123.4° |
C7 | C6 | C9 | H13 | 99.0° | 81.6° |
C7 | C6 | C9 | H14 | 139.3° | 156.0° |
C9 | C6 | C5 | O | 46.0° | 6.5° |
C9 | C6 | C7 | C8 | 18.6° | 35.7° |
C6 | C9 | N2 | H13 | 119.2° | 119.1° |
C6 | C9 | N2 | H14 | 119.2° | 118.6° |
C6 | C9 | N2 | C8 | 15.3° | 24.4° |
C6 | C9 | N2 | C10 | 165.1° | 155.8° |
C9 | C6 | C7 | H11 | 138.4° | 154.0° |
C9 | C6 | C7 | H12 | 101.2° | 82.7° |
C6 | C9 | H13 | H14 | 122.4° | 122.3° |
O | C5 | C6 | H15 | 167.2° | 117.6° |
O | C5 | N1 | H16 | 172.3° | 175.0° |
C7 | C8 | N2 | C9 | 3.8° | 1.3° |
C7 | C8 | N2 | H9 | 119.2° | 119.4° |
C7 | C8 | N2 | H10 | 119.2° | 119.6° |
C7 | C8 | N2 | C10 | 176.5° | 179.0° |
C7 | C8 | H9 | H10 | 122.4° | 121.1° |
C8 | C7 | H11 | H12 | 120.7° | 123.2° |
C8 | C7 | C6 | H15 | 136.4° | 82.6° |
C9 | N2 | C8 | C10 | 179.6° | 179.8° |
C9 | N2 | C10 | O1 | 9.1° | 0.3° |
C9 | N2 | C10 | C11 | 171.6° | 179.8° |
C9 | N2 | C8 | H9 | 123.0° | 120.7° |
C9 | N2 | C8 | H10 | 115.3° | 118.3° |
N2 | C9 | H13 | H14 | 122.3° | 122.2° |
N2 | C9 | C6 | H15 | 138.0° | 80.9° |
C8 | N2 | C10 | O1 | 170.5° | 180.0° |
C8 | N2 | C10 | C11 | 8.8° | 0.0° |
N2 | C8 | H9 | H10 | 122.4° | 121.1° |
N2 | C8 | C7 | H11 | 129.2° | 140.5° |
N2 | C8 | C7 | H12 | 110.3° | 96.3° |
C8 | N2 | C9 | H13 | 103.9° | 94.7° |
C8 | N2 | C9 | H14 | 134.4° | 143.1° |
N2 | C10 | O1 | C11 | 179.3° | 179.9° |
N2 | C10 | C11 | C12 | 75.6° | 180.0° |
N2 | C10 | C11 | H7 | 44.7° | 60.0° |
N2 | C10 | C11 | H8 | 164.1° | 60.0° |
C10 | N2 | C8 | H9 | 57.3° | 59.6° |
C10 | N2 | C8 | H10 | 64.3° | 61.5° |
C10 | N2 | C9 | H13 | 75.7° | 85.1° |
C10 | N2 | C9 | H14 | 45.9° | 37.2° |
O1 | C10 | C11 | C12 | 105.0° | 0.1° |
O1 | C10 | C11 | H7 | 134.7° | 120.0° |
O1 | C10 | C11 | H8 | 15.3° | 120.0° |
C10 | C11 | C12 | H7 | 120.3° | 120.0° |
C10 | C11 | C12 | H8 | 120.3° | 119.9° |
C10 | C11 | C12 | C13 | 88.2° | 180.0° |
C10 | C11 | C12 | H5 | 32.5° | 60.0° |
C10 | C11 | C12 | H6 | 151.2° | 60.0° |
C10 | C11 | H7 | H8 | 119.1° | 119.9° |
C11 | C12 | C13 | H5 | 120.6° | 120.0° |
C11 | C12 | C13 | H6 | 120.6° | 120.0° |
C11 | C12 | C13 | C17 | 125.3° | 85.0° |
C11 | C12 | C13 | C15 | 55.7° | 94.7° |
C11 | C12 | H5 | H6 | 118.1° | 120.0° |
C12 | C11 | H7 | H8 | 119.1° | 120.0° |
F | C17 | C13 | C12 | 0.6° | 0.0° |
F | C17 | C13 | C18 | 179.7° | 179.7° |
F | C17 | C13 | C15 | 179.6° | 179.7° |
F | C17 | C18 | C16 | 180.0° | 180.0° |
F | C17 | C18 | H1 | 0.0° | 0.0° |
C12 | C13 | C17 | C15 | 179.0° | 179.7° |
C12 | C13 | C17 | C18 | 179.7° | 179.7° |
C12 | C13 | C15 | C14 | 179.8° | 179.7° |
C12 | C13 | C15 | H4 | 0.2° | 0.1° |
C13 | C12 | H5 | H6 | 118.1° | 120.0° |
C13 | C12 | C11 | H7 | 151.6° | 60.0° |
C13 | C12 | C11 | H8 | 32.1° | 60.0° |
C13 | C17 | C18 | C16 | 0.3° | 0.3° |
C17 | C13 | C15 | C14 | 0.8° | 0.6° |
C13 | C17 | C18 | H1 | 179.7° | 179.8° |
C17 | C13 | C15 | H4 | 179.2° | 179.7° |
C17 | C13 | C12 | H5 | 4.7° | 155.0° |
C17 | C13 | C12 | H6 | 114.1° | 35.0° |
C18 | C17 | C13 | C15 | 0.7° | 0.5° |
C17 | C18 | C16 | H1 | 180.0° | 180.0° |
C17 | C18 | C16 | C14 | 0.0° | 0.0° |
C17 | C18 | C16 | H2 | 180.0° | 180.0° |
C13 | C15 | C14 | H4 | 180.0° | 179.8° |
C13 | C15 | C14 | C16 | 0.5° | 0.3° |
C13 | C15 | C14 | H3 | 179.5° | 179.8° |
C15 | C13 | C12 | H5 | 176.3° | 25.3° |
C15 | C13 | C12 | H6 | 64.9° | 145.3° |
C18 | C16 | C14 | C15 | 0.0° | 0.0° |
C18 | C16 | C14 | H2 | 180.0° | 180.0° |
C18 | C16 | C14 | H3 | 179.9° | 179.9° |
C15 | C14 | C16 | H3 | 180.0° | 179.9° |
C15 | C14 | C16 | H2 | 180.0° | 180.0° |
C14 | C16 | C18 | H1 | 180.0° | 180.0° |
C16 | C14 | C15 | H4 | 179.5° | 179.9° |
H1 | C18 | C16 | H2 | 0.0° | 0.1° |
H2 | C16 | C14 | H3 | 0.1° | 0.1° |
H3 | C14 | C15 | H4 | 0.5° | 0.0° |
H5 | C12 | C11 | H7 | 87.8° | 180.0° |
H5 | C12 | C11 | H8 | 152.8° | 59.9° |
H6 | C12 | C11 | H7 | 30.9° | 60.0° |
H6 | C12 | C11 | H8 | 88.5° | 180.0° |
H9 | C8 | C7 | H11 | 10.1° | 21.1° |
H9 | C8 | C7 | H12 | 130.5° | 144.2° |
H10 | C8 | C7 | H11 | 111.6° | 100.0° |
H10 | C8 | C7 | H12 | 8.8° | 23.2° |
H11 | C7 | C6 | H15 | 103.8° | 35.7° |
H12 | C7 | C6 | H15 | 16.6° | 159.0° |
H13 | C9 | C6 | H15 | 18.9° | 160.3° |
H14 | C9 | C6 | H15 | 102.8° | 37.8° |
H17 | C2 | C4 | H18 | 0.4° | 0.0° |
H18 | C4 | C3 | H19 | 0.0° | 0.0° |
H19 | C3 | C | H20 | 0.0° | 0.1° |