E2F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N23 | C22 | sing | 1.47Å | 1.45Å | |
N23 | C18 | sing | 1.47Å | 1.46Å | |
C22 | C21 | sing | 1.53Å | 1.53Å | |
C18 | C19 | sing | 1.53Å | 1.54Å | |
C21 | C20 | sing | 1.53Å | 1.53Å | |
C19 | C20 | sing | 1.53Å | 1.54Å | |
C20 | C17 | sing | 1.53Å | 1.54Å | |
C17 | C1 | sing | 1.53Å | 1.52Å | |
C1 | N2 | sing | 1.46Å | 1.47Å | |
N2 | C3 | sing | 1.40Å | 1.44Å | |
N2 | C11 | sing | 1.40Å | 1.44Å | |
CL1 | C13 | sing | 1.74Å | 1.78Å | |
C4 | C3 | sing | 1.38Å | 1.53Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.32Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.52Å | Aromatic |
C12 | C13 | doub | 1.39Å | 1.31Å | Aromatic |
C3 | C8 | doub | 1.39Å | 1.32Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.52Å | Aromatic |
C11 | C10 | doub | 1.39Å | 1.32Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.51Å | Aromatic |
C8 | O9 | sing | 1.36Å | 1.41Å | |
C8 | C7 | sing | 1.39Å | 1.51Å | Aromatic |
C10 | O9 | sing | 1.36Å | 1.40Å | |
C10 | C15 | sing | 1.39Å | 1.51Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.31Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.30Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
C17 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C20 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C1 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.08Å | 1.08Å | |
N23 | H17 | sing | 1.01Å | 1.00Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H19 | sing | 1.09Å | 1.10Å | |
C14 | H20 | sing | 1.08Å | 1.08Å | |
C19 | H21 | sing | 1.09Å | 1.10Å | |
C19 | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C22 | N23 | C18 | 113.5° | 111.2° |
N23 | C22 | C21 | 112.6° | 109.5° |
N23 | C22 | H11 | 108.7° | 109.5° |
N23 | C22 | H12 | 108.7° | 109.5° |
C22 | N23 | H17 | 108.5° | 111.0° |
N23 | C18 | C19 | 110.9° | 109.6° |
C18 | N23 | H17 | 108.5° | 111.0° |
N23 | C18 | H18 | 109.1° | 109.5° |
N23 | C18 | H19 | 109.1° | 109.4° |
C22 | C21 | C20 | 110.1° | 109.2° |
C22 | C21 | H9 | 109.3° | 109.5° |
C22 | C21 | H10 | 109.3° | 109.5° |
C21 | C22 | H11 | 108.7° | 109.5° |
C21 | C22 | H12 | 108.7° | 109.4° |
C18 | C19 | C20 | 111.4° | 109.3° |
C19 | C18 | H18 | 109.1° | 109.4° |
C19 | C18 | H19 | 109.1° | 109.5° |
C18 | C19 | H21 | 109.0° | 109.6° |
C18 | C19 | H22 | 109.0° | 109.5° |
C21 | C20 | C19 | 107.4° | 109.2° |
C21 | C20 | C17 | 109.2° | 109.5° |
C21 | C20 | H8 | 108.7° | 109.5° |
C20 | C21 | H9 | 109.3° | 109.5° |
C20 | C21 | H10 | 109.3° | 109.5° |
C19 | C20 | C17 | 114.2° | 109.5° |
C19 | C20 | H8 | 108.6° | 109.5° |
C20 | C19 | H21 | 109.0° | 109.4° |
C20 | C19 | H22 | 109.0° | 109.6° |
C20 | C17 | C1 | 111.1° | 109.5° |
C20 | C17 | H6 | 109.1° | 109.5° |
C20 | C17 | H7 | 109.1° | 109.4° |
C17 | C20 | H8 | 108.6° | 109.5° |
C17 | C1 | N2 | 116.2° | 109.5° |
C1 | C17 | H6 | 109.1° | 109.5° |
C1 | C17 | H7 | 109.1° | 109.5° |
C17 | C1 | H13 | 107.8° | 109.4° |
C17 | C1 | H14 | 107.8° | 109.4° |
C1 | N2 | C3 | 122.1° | 121.2° |
C1 | N2 | C11 | 121.8° | 121.1° |
N2 | C1 | H13 | 107.8° | 109.5° |
N2 | C1 | H14 | 107.8° | 109.5° |
C3 | N2 | C11 | 116.1° | 117.7° |
N2 | C3 | C4 | 121.7° | 120.5° |
N2 | C3 | C8 | 120.7° | 119.2° |
N2 | C11 | C12 | 120.7° | 120.5° |
N2 | C11 | C10 | 121.1° | 119.2° |
CL1 | C13 | C12 | 117.6° | 120.0° |
CL1 | C13 | C14 | 120.2° | 120.0° |
C3 | C4 | C5 | 119.6° | 119.8° |
C4 | C3 | C8 | 117.5° | 120.3° |
C3 | C4 | H1 | 120.2° | 120.1° |
C4 | C5 | C6 | 121.6° | 120.0° |
C5 | C4 | H1 | 120.2° | 120.1° |
C4 | C5 | H2 | 119.2° | 120.0° |
C11 | C12 | C13 | 118.8° | 119.8° |
C12 | C11 | C10 | 118.3° | 120.3° |
C11 | C12 | H15 | 120.6° | 120.1° |
C12 | C13 | C14 | 122.2° | 120.0° |
C13 | C12 | H15 | 120.6° | 120.1° |
C3 | C8 | O9 | 123.0° | 120.5° |
C3 | C8 | C7 | 122.7° | 119.5° |
C5 | C6 | C7 | 119.0° | 120.3° |
C6 | C5 | H2 | 119.2° | 120.0° |
C5 | C6 | H3 | 120.5° | 119.8° |
C11 | C10 | O9 | 122.6° | 120.5° |
C11 | C10 | C15 | 122.6° | 119.5° |
C13 | C14 | C15 | 119.4° | 120.3° |
C13 | C14 | H20 | 120.3° | 119.8° |
O9 | C8 | C7 | 114.4° | 120.0° |
C8 | O9 | C10 | 116.5° | 119.6° |
C8 | C7 | C6 | 119.6° | 120.0° |
C8 | C7 | H4 | 120.2° | 120.0° |
O9 | C10 | C15 | 114.8° | 120.0° |
C10 | C15 | C14 | 118.7° | 120.1° |
C10 | C15 | H5 | 120.7° | 120.0° |
C7 | C6 | H3 | 120.5° | 119.8° |
C6 | C7 | H4 | 120.2° | 120.0° |
C14 | C15 | H5 | 120.6° | 119.9° |
C15 | C14 | H20 | 120.3° | 119.9° |
H6 | C17 | H7 | 109.5° | 109.5° |
H9 | C21 | H10 | 109.4° | 109.6° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C1 | H14 | 109.5° | 109.5° |
H18 | C18 | H19 | 109.5° | 109.5° |
H21 | C19 | H22 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C22 | N23 | C18 | H17 | 120.6° | 124.1° |
N23 | C22 | C21 | H11 | 120.5° | 120.1° |
N23 | C22 | C21 | H12 | 120.5° | 120.0° |
C22 | N23 | C18 | C19 | 53.6° | 61.7° |
N23 | C22 | C21 | C20 | 57.2° | 59.2° |
N23 | C22 | C21 | H9 | 62.9° | 179.1° |
N23 | C22 | C21 | H10 | 177.3° | 60.7° |
N23 | C22 | H11 | H12 | 118.5° | 120.0° |
C22 | N23 | C18 | H18 | 66.7° | 58.2° |
C22 | N23 | C18 | H19 | 173.8° | 178.3° |
C18 | N23 | C22 | C21 | 55.1° | 61.8° |
N23 | C18 | C19 | H18 | 120.2° | 120.0° |
N23 | C18 | C19 | H19 | 120.2° | 120.0° |
N23 | C18 | C19 | C20 | 55.6° | 59.1° |
C18 | N23 | C22 | H11 | 175.6° | 58.3° |
C18 | N23 | C22 | H12 | 65.3° | 178.2° |
N23 | C18 | H18 | H19 | 119.3° | 120.0° |
N23 | C18 | C19 | H21 | 175.9° | 60.7° |
N23 | C18 | C19 | H22 | 64.7° | 179.1° |
C22 | C21 | C20 | H9 | 120.1° | 119.9° |
C22 | C21 | C20 | H10 | 120.1° | 119.9° |
C22 | C21 | C20 | C19 | 57.3° | 57.6° |
C22 | C21 | C20 | C17 | 178.4° | 177.5° |
C22 | C21 | C20 | H8 | 60.1° | 62.4° |
C22 | C21 | H9 | H10 | 119.7° | 120.2° |
C21 | C22 | H11 | H12 | 118.6° | 119.9° |
C21 | C22 | N23 | H17 | 175.7° | 174.1° |
C18 | C19 | C20 | C21 | 57.4° | 57.6° |
C18 | C19 | C20 | H21 | 120.3° | 119.9° |
C18 | C19 | C20 | H22 | 120.3° | 120.0° |
C18 | C19 | C20 | C17 | 178.7° | 177.5° |
C18 | C19 | C20 | H8 | 60.0° | 62.4° |
C19 | C18 | N23 | H17 | 174.2° | 174.2° |
C19 | C18 | H18 | H19 | 119.3° | 119.9° |
C18 | C19 | H21 | H22 | 119.2° | 120.1° |
C21 | C20 | C19 | C17 | 121.2° | 119.9° |
C21 | C20 | C19 | H8 | 117.4° | 119.9° |
C21 | C20 | C17 | H8 | 118.4° | 120.1° |
C21 | C20 | C17 | C1 | 174.7° | 175.1° |
C21 | C20 | C17 | H6 | 54.4° | 64.9° |
C21 | C20 | C17 | H7 | 65.1° | 55.1° |
C20 | C21 | H9 | H10 | 119.7° | 120.1° |
C20 | C21 | C22 | H11 | 177.7° | 60.9° |
C20 | C21 | C22 | H12 | 63.3° | 179.2° |
C21 | C20 | C19 | H21 | 177.7° | 62.4° |
C21 | C20 | C19 | H22 | 62.9° | 177.6° |
C19 | C20 | C17 | H8 | 121.3° | 120.1° |
C19 | C20 | C17 | C1 | 54.5° | 65.1° |
C19 | C20 | C17 | H6 | 65.8° | 54.9° |
C19 | C20 | C17 | H7 | 174.7° | 174.9° |
C19 | C20 | C21 | H9 | 62.8° | 177.5° |
C19 | C20 | C21 | H10 | 177.4° | 62.3° |
C20 | C19 | C18 | H18 | 64.6° | 60.9° |
C20 | C19 | C18 | H19 | 175.8° | 179.1° |
C20 | C19 | H21 | H22 | 119.1° | 120.1° |
C20 | C17 | C1 | H6 | 120.3° | 120.0° |
C20 | C17 | C1 | H7 | 120.2° | 120.0° |
C20 | C17 | C1 | N2 | 167.9° | 180.0° |
C20 | C17 | H6 | H7 | 119.3° | 120.0° |
C17 | C20 | C21 | H9 | 61.5° | 62.5° |
C17 | C20 | C21 | H10 | 58.3° | 57.6° |
C20 | C17 | C1 | H13 | 46.9° | 60.0° |
C20 | C17 | C1 | H14 | 71.2° | 60.0° |
C17 | C20 | C19 | H21 | 61.0° | 57.6° |
C17 | C20 | C19 | H22 | 58.4° | 62.5° |
C17 | C1 | N2 | H13 | 121.0° | 120.0° |
C17 | C1 | N2 | H14 | 121.0° | 120.0° |
C17 | C1 | N2 | C3 | 80.7° | 90.0° |
C17 | C1 | N2 | C11 | 100.3° | 89.9° |
C1 | C17 | H6 | H7 | 119.2° | 120.0° |
C1 | C17 | C20 | H8 | 66.9° | 55.0° |
C17 | C1 | H13 | H14 | 117.0° | 119.9° |
C1 | N2 | C3 | C11 | 179.0° | 179.9° |
C1 | N2 | C3 | C4 | 2.1° | 14.0° |
C1 | N2 | C11 | C12 | 1.5° | 14.0° |
C1 | N2 | C3 | C8 | 179.3° | 166.1° |
C1 | N2 | C11 | C10 | 179.2° | 166.1° |
N2 | C1 | C17 | H6 | 71.8° | 60.0° |
N2 | C1 | C17 | H7 | 47.7° | 60.0° |
N2 | C1 | H13 | H14 | 116.9° | 120.1° |
N2 | C3 | C4 | C8 | 178.7° | 179.9° |
N2 | C3 | C4 | C5 | 179.9° | 179.8° |
C3 | N2 | C11 | C12 | 179.5° | 166.0° |
C3 | N2 | C11 | C10 | 0.2° | 13.9° |
N2 | C3 | C8 | O9 | 1.4° | 0.3° |
N2 | C3 | C8 | C7 | 178.9° | 179.7° |
N2 | C3 | C4 | H1 | 0.1° | 0.1° |
C3 | N2 | C1 | H13 | 158.3° | 29.9° |
C3 | N2 | C1 | H14 | 40.3° | 150.0° |
C11 | N2 | C3 | C4 | 178.9° | 166.1° |
N2 | C11 | C12 | C10 | 179.3° | 179.9° |
N2 | C11 | C12 | C13 | 179.3° | 179.8° |
C11 | N2 | C3 | C8 | 0.3° | 13.9° |
N2 | C11 | C10 | O9 | 1.2° | 0.3° |
N2 | C11 | C10 | C15 | 179.4° | 179.7° |
C11 | N2 | C1 | H13 | 20.7° | 150.1° |
C11 | N2 | C1 | H14 | 138.7° | 30.1° |
N2 | C11 | C12 | H15 | 0.7° | 0.2° |
CL1 | C13 | C12 | C11 | 179.0° | 179.9° |
CL1 | C13 | C12 | C14 | 179.0° | 179.8° |
CL1 | C13 | C14 | C15 | 179.1° | 180.0° |
CL1 | C13 | C12 | H15 | 1.0° | 0.1° |
CL1 | C13 | C14 | H20 | 0.9° | 0.1° |
C3 | C4 | C5 | H1 | 180.0° | 179.7° |
C3 | C4 | C5 | C6 | 1.4° | 0.0° |
C4 | C3 | C8 | O9 | 180.0° | 179.7° |
C4 | C3 | C8 | C7 | 0.3° | 0.2° |
C3 | C4 | C5 | H2 | 178.6° | 180.0° |
C5 | C4 | C3 | C8 | 1.5° | 0.2° |
C4 | C5 | C6 | H2 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.1° | 0.0° |
C4 | C5 | C6 | H3 | 179.8° | 180.0° |
C11 | C12 | C13 | H15 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.0° | 0.1° |
C12 | C11 | C10 | O9 | 179.5° | 179.7° |
C12 | C11 | C10 | C15 | 0.1° | 0.2° |
C13 | C12 | C11 | C10 | 0.0° | 0.1° |
C12 | C13 | C14 | C15 | 0.2° | 0.2° |
C12 | C13 | C14 | H20 | 179.8° | 179.9° |
C3 | C8 | O9 | C7 | 179.7° | 179.9° |
C3 | C8 | O9 | C10 | 2.3° | 14.9° |
C3 | C8 | C7 | C6 | 1.0° | 0.1° |
C8 | C3 | C4 | H1 | 178.6° | 179.8° |
C3 | C8 | C7 | H4 | 179.0° | 179.8° |
C5 | C6 | C7 | C8 | 1.1° | 0.0° |
C5 | C6 | C7 | H3 | 180.0° | 180.0° |
C6 | C5 | C4 | H1 | 178.6° | 179.7° |
C5 | C6 | C7 | H4 | 178.9° | 179.9° |
C11 | C10 | O9 | C8 | 2.2° | 15.0° |
C11 | C10 | O9 | C15 | 179.4° | 179.9° |
C11 | C10 | C15 | C14 | 0.3° | 0.1° |
C11 | C10 | C15 | H5 | 179.7° | 179.9° |
C10 | C11 | C12 | H15 | 180.0° | 179.8° |
C13 | C14 | C15 | C10 | 0.3° | 0.1° |
C13 | C14 | C15 | H20 | 180.0° | 179.9° |
C13 | C14 | C15 | H5 | 179.7° | 179.9° |
C14 | C13 | C12 | H15 | 180.0° | 180.0° |
C8 | O9 | C10 | C15 | 178.4° | 165.1° |
O9 | C8 | C7 | C6 | 178.7° | 179.8° |
O9 | C8 | C7 | H4 | 1.3° | 0.2° |
C7 | C8 | O9 | C10 | 178.0° | 165.1° |
C8 | C7 | C6 | H4 | 180.0° | 180.0° |
C8 | C7 | C6 | H3 | 178.9° | 180.0° |
O9 | C10 | C15 | C14 | 179.7° | 179.8° |
O9 | C10 | C15 | H5 | 0.3° | 0.2° |
C10 | C15 | C14 | H5 | 180.0° | 180.0° |
C10 | C15 | C14 | H20 | 179.7° | 180.0° |
C7 | C6 | C5 | H2 | 179.9° | 179.9° |
H1 | C4 | C5 | H2 | 1.4° | 0.4° |
H2 | C5 | C6 | H3 | 0.2° | 0.1° |
H3 | C6 | C7 | H4 | 1.0° | 0.0° |
H5 | C15 | C14 | H20 | 0.3° | 0.0° |
H6 | C17 | C20 | H8 | 172.9° | 175.0° |
H6 | C17 | C1 | H13 | 167.2° | 180.0° |
H6 | C17 | C1 | H14 | 49.1° | 60.1° |
H7 | C17 | C20 | H8 | 53.4° | 65.0° |
H7 | C17 | C1 | H13 | 73.3° | 60.0° |
H7 | C17 | C1 | H14 | 168.6° | 179.9° |
H8 | C20 | C21 | H9 | 179.8° | 57.6° |
H8 | C20 | C21 | H10 | 60.0° | 177.7° |
H8 | C20 | C19 | H21 | 60.3° | 177.7° |
H8 | C20 | C19 | H22 | 179.7° | 57.6° |
H9 | C21 | C22 | H11 | 57.5° | 59.0° |
H9 | C21 | C22 | H12 | 176.6° | 60.9° |
H10 | C21 | C22 | H11 | 62.3° | 179.2° |
H10 | C21 | C22 | H12 | 56.8° | 59.3° |
H11 | C22 | N23 | H17 | 63.8° | 65.8° |
H12 | C22 | N23 | H17 | 55.3° | 54.2° |
H17 | N23 | C18 | H18 | 53.9° | 65.9° |
H17 | N23 | C18 | H19 | 65.6° | 54.2° |
H18 | C18 | C19 | H21 | 55.7° | 179.2° |
H18 | C18 | C19 | H22 | 175.1° | 59.1° |
H19 | C18 | C19 | H21 | 63.9° | 59.3° |
H19 | C18 | C19 | H22 | 55.5° | 60.9° |