H9V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F2 | C8 | sing | 1.35Å | 1.34Å | |
C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
CL1 | C10 | sing | 1.74Å | 1.79Å | |
C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
N2 | C17 | trip | 1.14Å | 1.16Å | |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
C17 | C15 | sing | 1.47Å | 1.47Å | |
C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C5 | sing | 1.48Å | 1.49Å | |
C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C15 | C13 | sing | 1.54Å | 1.51Å | |
C15 | N1 | sing | 1.48Å | 1.48Å | |
C12 | F1 | sing | 1.35Å | 1.34Å | |
C2 | C13 | sing | 1.51Å | 1.49Å | |
C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.54Å | 1.52Å | |
C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | C14 | sing | 1.48Å | 1.48Å | |
C14 | C16 | sing | 1.53Å | 1.52Å | |
F3 | C16 | sing | 1.40Å | 1.37Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
N1 | H12 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F2 | C8 | C9 | 118.9° | 120.1° |
F2 | C8 | C7 | 119.9° | 120.1° |
C8 | C9 | C10 | 119.5° | 120.2° |
C9 | C8 | C7 | 121.1° | 119.8° |
C8 | C9 | H5 | 120.2° | 119.9° |
C9 | C10 | CL1 | 118.6° | 119.9° |
C9 | C10 | C11 | 119.9° | 120.3° |
C10 | C9 | H5 | 120.2° | 119.9° |
CL1 | C10 | C11 | 121.6° | 119.9° |
C8 | C7 | C5 | 116.1° | 120.1° |
C8 | C7 | C12 | 119.5° | 119.8° |
N2 | C17 | C15 | 177.0° | 179.9° |
C10 | C11 | C12 | 120.3° | 120.1° |
C10 | C11 | H6 | 119.8° | 119.9° |
C3 | C4 | C5 | 119.8° | 119.9° |
C4 | C3 | C2 | 120.7° | 120.2° |
C4 | C3 | H2 | 119.7° | 119.9° |
C3 | C4 | H3 | 120.1° | 120.1° |
C4 | C5 | C7 | 122.0° | 120.2° |
C4 | C5 | C6 | 119.6° | 119.7° |
C5 | C4 | H3 | 120.1° | 120.0° |
C17 | C15 | C13 | 109.7° | 113.7° |
C17 | C15 | N1 | 114.4° | 113.7° |
C17 | C15 | H9 | 114.0° | 113.1° |
C3 | C2 | C13 | 119.3° | 119.9° |
C3 | C2 | C1 | 119.3° | 120.2° |
C2 | C3 | H2 | 119.6° | 119.9° |
C5 | C7 | C12 | 124.2° | 120.1° |
C7 | C5 | C6 | 118.4° | 120.1° |
C7 | C12 | C11 | 119.6° | 119.8° |
C7 | C12 | F1 | 120.8° | 120.1° |
C11 | C12 | F1 | 119.6° | 120.1° |
C12 | C11 | H6 | 119.9° | 119.9° |
C5 | C6 | C1 | 120.6° | 119.9° |
C5 | C6 | H4 | 119.7° | 120.1° |
C13 | C15 | N1 | 89.2° | 86.2° |
C15 | C13 | C2 | 111.6° | 113.8° |
C15 | C13 | C14 | 89.4° | 86.4° |
C15 | C13 | H7 | 110.5° | 113.8° |
C13 | C15 | H9 | 113.4° | 113.8° |
C15 | N1 | C14 | 91.8° | 90.8° |
N1 | C15 | H9 | 113.7° | 113.7° |
C15 | N1 | H12 | 113.7° | 111.0° |
C13 | C2 | C1 | 121.2° | 119.9° |
C2 | C13 | C14 | 122.1° | 113.7° |
C2 | C13 | H7 | 110.8° | 112.9° |
C2 | C1 | C6 | 120.0° | 120.2° |
C2 | C1 | H1 | 120.0° | 119.9° |
C13 | C14 | N1 | 88.9° | 86.2° |
C13 | C14 | C16 | 117.5° | 113.8° |
C14 | C13 | H7 | 110.4° | 113.7° |
C13 | C14 | H8 | 112.4° | 113.8° |
C6 | C1 | H1 | 120.0° | 120.0° |
C1 | C6 | H4 | 119.7° | 120.0° |
N1 | C14 | C16 | 110.6° | 113.7° |
N1 | C14 | H8 | 113.0° | 113.9° |
C14 | N1 | H12 | 113.7° | 111.0° |
C14 | C16 | F3 | 110.6° | 109.5° |
C16 | C14 | H8 | 112.3° | 113.0° |
C14 | C16 | H10 | 109.2° | 109.5° |
C14 | C16 | H11 | 109.2° | 109.5° |
F3 | C16 | H10 | 109.2° | 109.5° |
F3 | C16 | H11 | 109.2° | 109.4° |
H10 | C16 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F2 | C8 | C9 | C7 | 179.2° | 179.7° |
F2 | C8 | C9 | C10 | 180.0° | 179.7° |
F2 | C8 | C7 | C5 | 2.4° | 0.3° |
F2 | C8 | C7 | C12 | 179.0° | 179.7° |
F2 | C8 | C9 | H5 | 0.0° | 0.3° |
C8 | C9 | C10 | H5 | 180.0° | 180.0° |
C8 | C9 | C10 | CL1 | 179.9° | 180.0° |
C8 | C9 | C10 | C11 | 0.0° | 0.1° |
C9 | C8 | C7 | C5 | 178.4° | 180.0° |
C9 | C8 | C7 | C12 | 1.8° | 0.1° |
C9 | C10 | CL1 | C11 | 179.9° | 179.9° |
C10 | C9 | C8 | C7 | 0.8° | 0.0° |
C9 | C10 | C11 | C12 | 0.2° | 0.1° |
C9 | C10 | C11 | H6 | 179.8° | 180.0° |
CL1 | C10 | C11 | C12 | 179.9° | 180.0° |
CL1 | C10 | C9 | H5 | 0.1° | 0.0° |
CL1 | C10 | C11 | H6 | 0.1° | 0.0° |
C8 | C7 | C5 | C4 | 61.4° | 114.9° |
C8 | C7 | C5 | C12 | 176.4° | 179.9° |
C8 | C7 | C12 | C11 | 2.0° | 0.0° |
C8 | C7 | C5 | C6 | 114.4° | 64.7° |
C8 | C7 | C12 | F1 | 179.3° | 179.9° |
C7 | C8 | C9 | H5 | 179.2° | 180.0° |
N2 | C17 | C15 | C13 | 171.6° | 126.6° |
N2 | C17 | C15 | N1 | 90.0° | 136.9° |
N2 | C17 | C15 | H9 | 43.3° | 5.1° |
C10 | C11 | C12 | C7 | 1.2° | 0.0° |
C10 | C11 | C12 | H6 | 180.0° | 179.9° |
C10 | C11 | C12 | F1 | 179.9° | 180.0° |
C11 | C10 | C9 | H5 | 180.0° | 180.0° |
C3 | C4 | C5 | H3 | 180.0° | 179.7° |
C4 | C3 | C2 | H2 | 180.0° | 180.0° |
C3 | C4 | C5 | C7 | 177.7° | 180.0° |
C3 | C4 | C5 | C6 | 1.9° | 0.3° |
C4 | C3 | C2 | C13 | 178.2° | 180.0° |
C4 | C3 | C2 | C1 | 2.2° | 0.1° |
C5 | C4 | C3 | C2 | 0.1° | 0.3° |
C4 | C5 | C7 | C6 | 175.8° | 179.7° |
C4 | C5 | C7 | C12 | 122.2° | 65.0° |
C4 | C5 | C6 | C1 | 1.8° | 0.0° |
C5 | C4 | C3 | H2 | 179.9° | 179.7° |
C4 | C5 | C6 | H4 | 178.2° | 179.9° |
C17 | C15 | C13 | N1 | 115.7° | 114.3° |
C17 | C15 | C13 | H9 | 128.6° | 131.4° |
C17 | C15 | N1 | H9 | 133.3° | 131.4° |
C17 | C15 | C13 | C2 | 113.6° | 155.1° |
C17 | C15 | C13 | C14 | 121.8° | 90.5° |
C17 | C15 | N1 | C14 | 117.6° | 89.6° |
C17 | C15 | C13 | H7 | 10.2° | 23.8° |
C17 | C15 | N1 | H12 | 0.7° | 23.3° |
C3 | C2 | C13 | C15 | 13.9° | 143.2° |
C3 | C2 | C13 | C1 | 175.9° | 180.0° |
C3 | C2 | C13 | C14 | 117.5° | 120.0° |
C3 | C2 | C1 | C6 | 2.3° | 0.3° |
C3 | C2 | C1 | H1 | 177.7° | 180.0° |
C2 | C3 | C4 | H3 | 179.9° | 180.0° |
C3 | C2 | C13 | H7 | 109.8° | 11.5° |
C5 | C7 | C12 | C11 | 178.3° | 180.0° |
C5 | C7 | C12 | F1 | 3.0° | 0.0° |
C7 | C5 | C6 | C1 | 177.7° | 179.7° |
C7 | C5 | C4 | H3 | 2.3° | 0.4° |
C7 | C5 | C6 | H4 | 2.3° | 0.3° |
C7 | C12 | C11 | F1 | 178.7° | 180.0° |
C12 | C7 | C5 | C6 | 62.0° | 115.4° |
C7 | C12 | C11 | H6 | 178.8° | 180.0° |
C5 | C6 | C1 | C2 | 0.4° | 0.3° |
C5 | C6 | C1 | H4 | 180.0° | 179.9° |
C5 | C6 | C1 | H1 | 179.7° | 180.0° |
C6 | C5 | C4 | H3 | 178.1° | 180.0° |
C13 | C15 | N1 | H9 | 115.3° | 114.3° |
C15 | C13 | C2 | C14 | 103.7° | 96.8° |
C15 | C13 | C2 | H7 | 123.6° | 131.7° |
C15 | C13 | C2 | C1 | 170.2° | 36.7° |
C15 | C13 | C14 | H7 | 111.7° | 114.4° |
C13 | C15 | N1 | C14 | 6.2° | 24.7° |
C15 | C13 | C14 | C16 | 106.7° | 138.0° |
C15 | C13 | C14 | H8 | 120.6° | 90.7° |
C13 | C15 | N1 | H12 | 110.7° | 137.6° |
N1 | C15 | C13 | C2 | 130.7° | 90.6° |
C15 | N1 | C14 | H12 | 116.9° | 112.9° |
C15 | N1 | C14 | C16 | 113.0° | 139.0° |
N1 | C15 | C13 | H7 | 105.5° | 138.1° |
C15 | N1 | C14 | H8 | 120.1° | 89.7° |
F1 | C12 | C11 | H6 | 0.1° | 0.1° |
C2 | C13 | C14 | H7 | 132.9° | 131.1° |
C13 | C2 | C1 | C6 | 178.3° | 179.7° |
C2 | C13 | C14 | N1 | 121.5° | 90.8° |
C2 | C13 | C14 | C16 | 8.7° | 23.5° |
C13 | C2 | C1 | H1 | 1.8° | 0.0° |
C13 | C2 | C3 | H2 | 1.8° | 0.0° |
C2 | C13 | C14 | H8 | 124.0° | 154.8° |
C2 | C13 | C15 | H9 | 15.1° | 23.7° |
C1 | C2 | C13 | C14 | 66.5° | 60.1° |
C2 | C1 | C6 | H1 | 180.0° | 179.7° |
C1 | C2 | C3 | H2 | 177.8° | 180.0° |
C2 | C1 | C6 | H4 | 179.6° | 179.8° |
C1 | C2 | C13 | H7 | 66.2° | 168.4° |
C13 | C14 | N1 | C16 | 119.1° | 114.3° |
C13 | C14 | N1 | H8 | 113.9° | 114.4° |
C13 | C14 | C16 | H8 | 132.7° | 131.7° |
C13 | C14 | C16 | F3 | 61.6° | 180.0° |
C14 | C13 | C15 | H9 | 109.6° | 138.0° |
C13 | C14 | C16 | H10 | 58.5° | 60.0° |
C13 | C14 | C16 | H11 | 178.2° | 60.0° |
C13 | C14 | N1 | H12 | 110.7° | 137.6° |
N1 | C14 | C16 | H8 | 127.3° | 131.8° |
N1 | C14 | C16 | F3 | 38.4° | 83.5° |
N1 | C14 | C13 | H7 | 105.7° | 138.1° |
C14 | N1 | C15 | H9 | 109.1° | 139.0° |
N1 | C14 | C16 | H10 | 158.5° | 36.5° |
N1 | C14 | C16 | H11 | 81.8° | 156.6° |
C14 | C16 | F3 | H10 | 120.2° | 120.0° |
C14 | C16 | F3 | H11 | 120.2° | 120.0° |
C16 | C14 | C13 | H7 | 141.5° | 107.6° |
C14 | C16 | H10 | H11 | 119.5° | 120.0° |
C16 | C14 | N1 | H12 | 130.1° | 108.1° |
F3 | C16 | C14 | H8 | 165.6° | 48.3° |
F3 | C16 | H10 | H11 | 119.5° | 120.0° |
H1 | C1 | C6 | H4 | 0.4° | 0.1° |
H2 | C3 | C4 | H3 | 0.1° | 0.0° |
H7 | C13 | C14 | H8 | 8.8° | 23.7° |
H7 | C13 | C15 | H9 | 138.9° | 107.7° |
H8 | C14 | C16 | H10 | 74.2° | 168.3° |
H8 | C14 | C16 | H11 | 45.5° | 71.7° |
H8 | C14 | N1 | H12 | 3.2° | 23.2° |
H9 | C15 | N1 | H12 | 134.0° | 108.1° |