LZ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F1 | C2 | sing | 1.34Å | 1.34Å | |
C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C5 | N6 | sing | 1.42Å | 1.42Å | |
C5 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
N6 | C7 | sing | 1.35Å | 1.35Å | |
C7 | O8 | doub | 1.22Å | 1.22Å | |
C7 | C9 | sing | 1.47Å | 1.47Å | |
C9 | N10 | doub | 1.31Å | 1.31Å | Aromatic |
C9 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
N10 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
N11 | C12 | sing | 1.32Å | 1.32Å | Aromatic |
C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
C13 | N14 | sing | 1.38Å | 1.38Å | |
N14 | C15 | sing | 1.34Å | 1.34Å | |
C15 | O16 | doub | 1.24Å | 1.24Å | |
C15 | C17 | sing | 1.51Å | 1.51Å | |
C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
C17 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
C18 | F19 | sing | 1.35Å | 1.35Å | |
C18 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
C23 | F24 | sing | 1.34Å | 1.34Å | |
C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
N6 | H6 | sing | 1.00Å | 1.00Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
N11 | H11 | sing | 1.00Å | 1.00Å | |
N14 | H14 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C2 | C3 | 118.8° | 118.8° |
F1 | C2 | C26 | 119.2° | 119.2° |
C3 | C2 | C26 | 122.0° | 122.0° |
C2 | C3 | C4 | 119.1° | 119.1° |
C2 | C3 | H3 | 120.4° | 120.4° |
C2 | C26 | C25 | 119.0° | 119.0° |
C2 | C26 | H26 | 120.5° | 120.5° |
C3 | C4 | C5 | 120.3° | 120.3° |
C4 | C3 | H3 | 120.5° | 120.5° |
C3 | C4 | H4 | 119.8° | 119.8° |
C4 | C5 | N6 | 120.2° | 120.2° |
C4 | C5 | C25 | 119.5° | 119.5° |
C5 | C4 | H4 | 119.9° | 119.9° |
N6 | C5 | C25 | 120.3° | 120.3° |
C5 | N6 | C7 | 124.0° | 124.0° |
C5 | N6 | H6 | 118.0° | 118.0° |
C5 | C25 | C26 | 120.0° | 120.0° |
C5 | C25 | H25 | 120.0° | 120.0° |
N6 | C7 | O8 | 122.4° | 122.4° |
N6 | C7 | C9 | 117.1° | 117.1° |
C7 | N6 | H6 | 118.0° | 118.0° |
O8 | C7 | C9 | 120.3° | 120.3° |
C7 | C9 | N10 | 123.7° | 123.7° |
C7 | C9 | C13 | 126.1° | 126.1° |
N10 | C9 | C13 | 110.2° | 110.2° |
C9 | N10 | N11 | 105.1° | 105.1° |
C9 | C13 | C12 | 105.8° | 105.8° |
C9 | C13 | N14 | 123.8° | 123.8° |
N10 | N11 | C12 | 112.3° | 112.3° |
N10 | N11 | H11 | 123.8° | 123.8° |
N11 | C12 | C13 | 106.5° | 106.5° |
N11 | C12 | H12 | 126.7° | 126.7° |
C12 | N11 | H11 | 123.8° | 123.8° |
C12 | C13 | N14 | 130.4° | 130.4° |
C13 | C12 | H12 | 126.7° | 126.7° |
C13 | N14 | C15 | 125.6° | 125.6° |
C13 | N14 | H14 | 117.2° | 117.2° |
N14 | C15 | O16 | 121.9° | 121.9° |
N14 | C15 | C17 | 115.9° | 115.9° |
C15 | N14 | H14 | 117.2° | 117.2° |
O16 | C15 | C17 | 122.2° | 122.2° |
C15 | C17 | C18 | 121.3° | 121.3° |
C15 | C17 | C23 | 121.7° | 121.7° |
C18 | C17 | C23 | 116.9° | 116.9° |
C17 | C18 | F19 | 118.3° | 118.3° |
C17 | C18 | C20 | 121.8° | 121.8° |
C17 | C23 | C22 | 122.0° | 122.0° |
C17 | C23 | F24 | 118.7° | 118.7° |
F19 | C18 | C20 | 119.9° | 119.9° |
C18 | C20 | C21 | 119.7° | 119.7° |
C18 | C20 | H20 | 120.1° | 120.1° |
C20 | C21 | C22 | 119.9° | 119.9° |
C21 | C20 | H20 | 120.1° | 120.1° |
C20 | C21 | H21 | 120.0° | 120.0° |
C21 | C22 | C23 | 119.7° | 119.7° |
C22 | C21 | H21 | 120.0° | 120.0° |
C21 | C22 | H22 | 120.2° | 120.2° |
C22 | C23 | F24 | 119.3° | 119.3° |
C23 | C22 | H22 | 120.2° | 120.2° |
C25 | C26 | H26 | 120.5° | 120.5° |
C26 | C25 | H25 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C2 | C3 | C26 | 179.9° | 179.9° |
F1 | C2 | C3 | C4 | 179.5° | 179.5° |
F1 | C2 | C26 | C25 | 180.0° | 180.0° |
F1 | C2 | C3 | H3 | 0.5° | 0.5° |
F1 | C2 | C26 | H26 | 0.0° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.4° | 0.4° |
C3 | C2 | C26 | C25 | 0.1° | 0.1° |
C3 | C2 | C26 | H26 | 179.9° | 179.9° |
C2 | C3 | C4 | H4 | 179.6° | 179.6° |
C26 | C2 | C3 | C4 | 0.6° | 0.6° |
C2 | C26 | C25 | C5 | 0.7° | 0.7° |
C2 | C26 | C25 | H26 | 180.0° | 180.0° |
C26 | C2 | C3 | H3 | 179.4° | 179.4° |
C2 | C26 | C25 | H25 | 179.3° | 179.3° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | N6 | 178.9° | 178.9° |
C3 | C4 | C5 | C25 | 0.4° | 0.4° |
C4 | C5 | N6 | C25 | 178.5° | 178.5° |
C4 | C5 | N6 | C7 | 117.8° | 117.8° |
C4 | C5 | C25 | C26 | 0.9° | 0.9° |
C5 | C4 | C3 | H3 | 179.6° | 179.6° |
C4 | C5 | N6 | H6 | 62.2° | 62.2° |
C4 | C5 | C25 | H25 | 179.1° | 179.1° |
C5 | N6 | C7 | H6 | 180.0° | 180.0° |
C5 | N6 | C7 | O8 | 1.6° | 1.6° |
C5 | N6 | C7 | C9 | 174.7° | 174.7° |
N6 | C5 | C25 | C26 | 179.4° | 179.4° |
N6 | C5 | C4 | H4 | 1.1° | 1.1° |
N6 | C5 | C25 | H25 | 0.5° | 0.5° |
C25 | C5 | N6 | C7 | 60.8° | 60.8° |
C5 | C25 | C26 | H25 | 180.0° | 180.0° |
C5 | C25 | C26 | H26 | 179.3° | 179.3° |
C25 | C5 | C4 | H4 | 179.6° | 179.6° |
C25 | C5 | N6 | H6 | 119.3° | 119.3° |
N6 | C7 | O8 | C9 | 176.2° | 176.2° |
N6 | C7 | C9 | N10 | 21.3° | 21.3° |
N6 | C7 | C9 | C13 | 157.3° | 157.3° |
O8 | C7 | C9 | N10 | 162.3° | 162.3° |
O8 | C7 | C9 | C13 | 19.1° | 19.1° |
O8 | C7 | N6 | H6 | 178.4° | 178.4° |
C7 | C9 | N10 | C13 | 178.8° | 178.8° |
C7 | C9 | N10 | N11 | 178.9° | 178.9° |
C7 | C9 | C13 | C12 | 179.2° | 179.2° |
C7 | C9 | C13 | N14 | 0.2° | 0.2° |
C9 | C7 | N6 | H6 | 5.3° | 5.3° |
C9 | N10 | N11 | C12 | 0.2° | 0.2° |
N10 | C9 | C13 | C12 | 0.5° | 0.5° |
N10 | C9 | C13 | N14 | 178.5° | 178.5° |
C9 | N10 | N11 | H11 | 179.8° | 179.8° |
C13 | C9 | N10 | N11 | 0.2° | 0.2° |
C9 | C13 | C12 | N11 | 0.6° | 0.6° |
C9 | C13 | C12 | N14 | 178.9° | 178.9° |
C9 | C13 | N14 | C15 | 174.8° | 174.8° |
C9 | C13 | C12 | H12 | 179.4° | 179.4° |
C9 | C13 | N14 | H14 | 5.2° | 5.2° |
N10 | N11 | C12 | H11 | 180.0° | 180.0° |
N10 | N11 | C12 | C13 | 0.5° | 0.5° |
N10 | N11 | C12 | H12 | 179.5° | 179.5° |
N11 | C12 | C13 | H12 | 180.0° | 180.0° |
N11 | C12 | C13 | N14 | 178.3° | 178.3° |
C12 | C13 | N14 | C15 | 3.9° | 3.9° |
C13 | C12 | N11 | H11 | 179.5° | 179.5° |
C12 | C13 | N14 | H14 | 176.1° | 176.1° |
C13 | N14 | C15 | H14 | 180.0° | 180.0° |
C13 | N14 | C15 | O16 | 2.6° | 2.6° |
C13 | N14 | C15 | C17 | 179.9° | 179.9° |
N14 | C13 | C12 | H12 | 1.7° | 1.7° |
N14 | C15 | O16 | C17 | 177.1° | 177.1° |
N14 | C15 | C17 | C18 | 111.7° | 111.7° |
N14 | C15 | C17 | C23 | 65.3° | 65.3° |
O16 | C15 | C17 | C18 | 65.6° | 65.6° |
O16 | C15 | C17 | C23 | 117.4° | 117.4° |
O16 | C15 | N14 | H14 | 177.4° | 177.4° |
C15 | C17 | C18 | C23 | 177.1° | 177.1° |
C15 | C17 | C18 | F19 | 2.1° | 2.1° |
C15 | C17 | C18 | C20 | 177.9° | 177.9° |
C15 | C17 | C23 | C22 | 178.3° | 178.3° |
C15 | C17 | C23 | F24 | 1.7° | 1.7° |
C17 | C15 | N14 | H14 | 0.1° | 0.1° |
C17 | C18 | F19 | C20 | 180.0° | 180.0° |
C17 | C18 | C20 | C21 | 0.4° | 0.4° |
C18 | C17 | C23 | C22 | 1.2° | 1.2° |
C18 | C17 | C23 | F24 | 178.8° | 178.8° |
C17 | C18 | C20 | H20 | 179.6° | 179.6° |
C23 | C17 | C18 | F19 | 179.2° | 179.2° |
C23 | C17 | C18 | C20 | 0.8° | 0.8° |
C17 | C23 | C22 | C21 | 1.2° | 1.2° |
C17 | C23 | C22 | F24 | 180.0° | 180.0° |
C17 | C23 | C22 | H22 | 178.9° | 178.9° |
F19 | C18 | C20 | C21 | 179.6° | 179.6° |
F19 | C18 | C20 | H20 | 0.4° | 0.4° |
C18 | C20 | C21 | H20 | 180.0° | 180.0° |
C18 | C20 | C21 | C22 | 0.3° | 0.3° |
C18 | C20 | C21 | H21 | 179.6° | 179.6° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.7° | 0.7° |
C20 | C21 | C22 | H22 | 179.3° | 179.3° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | F24 | 178.8° | 178.8° |
C22 | C21 | C20 | H20 | 179.6° | 179.6° |
C23 | C22 | C21 | H21 | 179.3° | 179.3° |
F24 | C23 | C22 | H22 | 1.2° | 1.2° |
H3 | C3 | C4 | H4 | 0.4° | 0.4° |
H26 | C26 | C25 | H25 | 0.7° | 0.7° |
H12 | C12 | N11 | H11 | 0.5° | 0.5° |
H20 | C20 | C21 | H21 | 0.4° | 0.4° |
H21 | C21 | C22 | H22 | 0.7° | 0.7° |