H9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.43Å | Aromatic |
| C13 | N3 | doub | 1.33Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.43Å | 1.40Å | Aromatic |
| C4 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
| N1 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| N1 | PT | sing | 2.06Å | 2.18Å | |
| C5 | C6 | doub | 1.34Å | 1.40Å | Aromatic |
| N3 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | PT | sing | 2.06Å | 2.18Å | |
| C16 | C24 | doub | 1.41Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.43Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.44Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.44Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.40Å | Aromatic |
| PT | N2 | sing | 2.06Å | 2.19Å | |
| PT | N4 | sing | 2.06Å | 2.18Å | |
| C6 | C7 | sing | 1.43Å | 1.41Å | Aromatic |
| C11 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| C23 | N4 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C10 | doub | 1.33Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.43Å | 1.41Å | Aromatic |
| N4 | C22 | sing | 1.33Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 0.94Å | 1.08Å | |
| C2 | H2 | sing | 0.94Å | 1.08Å | |
| C3 | H3 | sing | 0.94Å | 1.08Å | |
| C5 | H5 | sing | 0.94Å | 1.08Å | |
| C6 | H6 | sing | 0.94Å | 1.08Å | |
| C8 | H8 | sing | 0.94Å | 1.08Å | |
| C9 | H9 | sing | 0.94Å | 1.08Å | |
| C10 | H10 | sing | 0.94Å | 1.08Å | |
| C13 | H13 | sing | 0.94Å | 1.08Å | |
| C14 | H14 | sing | 0.94Å | 1.08Å | |
| C15 | H15 | sing | 0.94Å | 1.08Å | |
| C17 | H17 | sing | 0.94Å | 1.08Å | |
| C18 | H18 | sing | 0.94Å | 1.08Å | |
| C20 | H20 | sing | 0.94Å | 1.08Å | |
| C21 | H21 | sing | 0.94Å | 1.08Å | |
| C22 | H22 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.3° | 118.8° |
| C2 | C3 | C4 | 119.5° | 119.8° |
| C3 | C2 | H2 | 119.9° | 120.7° |
| C2 | C3 | H3 | 120.2° | 120.3° |
| C2 | C1 | N1 | 120.6° | 124.0° |
| C2 | C1 | H1 | 119.7° | 118.1° |
| C1 | C2 | H2 | 119.9° | 120.5° |
| C3 | C4 | C5 | 120.1° | 123.1° |
| C3 | C4 | C12 | 120.1° | 117.4° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C13 | C14 | C15 | 120.3° | 118.8° |
| C14 | C13 | N3 | 120.6° | 124.0° |
| C14 | C13 | H13 | 119.7° | 118.0° |
| C13 | C14 | H14 | 119.9° | 120.5° |
| C14 | C15 | C16 | 119.6° | 119.8° |
| C15 | C14 | H14 | 119.8° | 120.7° |
| C14 | C15 | H15 | 120.2° | 120.3° |
| C1 | N1 | C12 | 118.1° | 117.0° |
| C1 | N1 | PT | 127.7° | 131.3° |
| N1 | C1 | H1 | 119.7° | 117.9° |
| C13 | N3 | C24 | 118.2° | 117.0° |
| C13 | N3 | PT | 127.7° | 131.3° |
| N3 | C13 | H13 | 119.7° | 118.0° |
| C15 | C16 | C24 | 120.0° | 117.4° |
| C15 | C16 | C17 | 120.2° | 123.1° |
| C16 | C15 | H15 | 120.2° | 120.0° |
| C5 | C4 | C12 | 119.8° | 119.5° |
| C4 | C5 | C6 | 119.7° | 121.1° |
| C4 | C5 | H5 | 120.2° | 119.3° |
| C4 | C12 | N1 | 121.4° | 123.1° |
| C4 | C12 | C11 | 120.4° | 119.4° |
| C12 | N1 | PT | 114.2° | 111.7° |
| N1 | C12 | C11 | 118.3° | 117.5° |
| N1 | PT | N3 | 105.9° | 102.4° |
| N1 | PT | N2 | 75.2° | 81.5° |
| N1 | PT | N4 | 170.2° | 158.2° |
| C5 | C6 | C7 | 119.7° | 121.2° |
| C6 | C5 | H5 | 120.1° | 119.6° |
| C5 | C6 | H6 | 120.2° | 119.7° |
| C24 | N3 | PT | 114.1° | 111.7° |
| N3 | C24 | C16 | 121.3° | 123.1° |
| N3 | C24 | C23 | 118.2° | 117.5° |
| N3 | PT | N2 | 170.1° | 158.0° |
| N3 | PT | N4 | 75.3° | 81.5° |
| C24 | C16 | C17 | 119.8° | 119.5° |
| C16 | C24 | C23 | 120.5° | 119.4° |
| C16 | C17 | C18 | 119.7° | 121.1° |
| C16 | C17 | H17 | 120.1° | 119.3° |
| C12 | C11 | C7 | 120.5° | 119.3° |
| C12 | C11 | N2 | 118.3° | 117.6° |
| C24 | C23 | N4 | 118.3° | 117.5° |
| C24 | C23 | C19 | 120.4° | 119.3° |
| C17 | C18 | C19 | 119.6° | 121.1° |
| C18 | C17 | H17 | 120.1° | 119.6° |
| C17 | C18 | H18 | 120.2° | 119.7° |
| N2 | PT | N4 | 105.4° | 103.1° |
| PT | N2 | C11 | 114.0° | 111.7° |
| PT | N2 | C10 | 127.6° | 131.3° |
| PT | N4 | C23 | 114.1° | 111.7° |
| PT | N4 | C22 | 127.7° | 131.4° |
| C6 | C7 | C11 | 119.9° | 119.5° |
| C6 | C7 | C8 | 120.2° | 123.1° |
| C7 | C6 | H6 | 120.1° | 119.2° |
| C7 | C11 | N2 | 121.1° | 123.1° |
| C11 | C7 | C8 | 119.8° | 117.4° |
| C11 | N2 | C10 | 118.4° | 117.0° |
| N4 | C23 | C19 | 121.2° | 123.2° |
| C23 | N4 | C22 | 118.2° | 116.9° |
| C23 | C19 | C18 | 119.9° | 119.6° |
| C23 | C19 | C20 | 120.1° | 117.3° |
| C7 | C8 | C9 | 119.9° | 119.8° |
| C7 | C8 | H8 | 120.1° | 119.9° |
| N2 | C10 | C9 | 120.5° | 124.0° |
| N2 | C10 | H10 | 119.8° | 117.9° |
| C18 | C19 | C20 | 120.0° | 123.1° |
| C19 | C18 | H18 | 120.2° | 119.2° |
| N4 | C22 | C21 | 120.7° | 124.0° |
| N4 | C22 | H22 | 119.6° | 118.0° |
| C19 | C20 | C21 | 119.5° | 119.8° |
| C19 | C20 | H20 | 120.2° | 119.9° |
| C8 | C9 | C10 | 120.3° | 118.8° |
| C9 | C8 | H8 | 120.0° | 120.3° |
| C8 | C9 | H9 | 119.9° | 120.7° |
| C10 | C9 | H9 | 119.9° | 120.5° |
| C9 | C10 | H10 | 119.8° | 118.1° |
| C22 | C21 | C20 | 120.3° | 118.8° |
| C22 | C21 | H21 | 119.8° | 120.5° |
| C21 | C22 | H22 | 119.6° | 118.0° |
| C21 | C20 | H20 | 120.3° | 120.3° |
| C20 | C21 | H21 | 119.8° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.6° |
| C3 | C2 | C1 | N1 | 0.0° | 0.7° |
| C2 | C3 | C4 | C5 | 179.9° | 179.8° |
| C2 | C3 | C4 | C12 | 0.0° | 0.2° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | N1 | H1 | 180.0° | 179.0° |
| C2 | C1 | N1 | C12 | 0.0° | 1.2° |
| C2 | C1 | N1 | PT | 179.4° | 178.7° |
| C1 | C2 | C3 | H3 | 180.0° | 179.6° |
| C3 | C4 | C5 | C12 | 179.9° | 179.9° |
| C3 | C4 | C12 | N1 | 0.1° | 0.3° |
| C3 | C4 | C5 | C6 | 180.0° | 179.8° |
| C3 | C4 | C12 | C11 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 0.0° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | N3 | H13 | 180.0° | 179.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | N3 | C24 | 0.0° | 1.2° |
| C14 | C13 | N3 | PT | 180.0° | 179.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.6° |
| C15 | C14 | C13 | N3 | 0.0° | 0.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C24 | 0.0° | 0.2° |
| C14 | C15 | C16 | C17 | 180.0° | 179.8° |
| C15 | C14 | C13 | H13 | 180.0° | 179.8° |
| C1 | N1 | C12 | C4 | 0.1° | 1.0° |
| C1 | N1 | C12 | PT | 179.5° | 179.9° |
| C1 | N1 | PT | N3 | 10.2° | 23.1° |
| C1 | N1 | C12 | C11 | 180.0° | 179.3° |
| C1 | N1 | PT | N2 | 180.0° | 179.0° |
| C1 | N1 | PT | N4 | 85.2° | 75.1° |
| N1 | C1 | C2 | H2 | 180.0° | 179.4° |
| C13 | N3 | PT | N1 | 10.1° | 22.9° |
| C13 | N3 | C24 | PT | 180.0° | 179.8° |
| C13 | N3 | C24 | C16 | 0.0° | 1.0° |
| C13 | N3 | C24 | C23 | 179.9° | 179.4° |
| C13 | N3 | PT | N2 | 84.8° | 75.1° |
| C13 | N3 | PT | N4 | 179.9° | 179.0° |
| N3 | C13 | C14 | H14 | 180.0° | 179.5° |
| C15 | C16 | C24 | N3 | 0.0° | 0.3° |
| C15 | C16 | C24 | C17 | 180.0° | 180.0° |
| C15 | C16 | C24 | C23 | 179.9° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 179.8° |
| C16 | C15 | C14 | H14 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 0.0° | 0.1° |
| C5 | C4 | C12 | N1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C12 | C11 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 0.0° | 0.3° |
| C5 | C4 | C3 | H3 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C12 | N1 | C11 | 179.9° | 179.7° |
| C4 | C12 | N1 | PT | 179.5° | 178.9° |
| C12 | C4 | C5 | C6 | 0.1° | 0.2° |
| C4 | C12 | C11 | C7 | 0.1° | 0.2° |
| C4 | C12 | C11 | N2 | 180.0° | 179.9° |
| C12 | C4 | C3 | H3 | 180.0° | 179.8° |
| C12 | C4 | C5 | H5 | 179.9° | 179.9° |
| C12 | N1 | PT | N3 | 169.2° | 156.8° |
| C12 | N1 | PT | N2 | 0.6° | 1.1° |
| C12 | N1 | PT | N4 | 95.4° | 105.1° |
| N1 | C12 | C11 | C7 | 179.9° | 179.8° |
| N1 | C12 | C11 | N2 | 0.1° | 0.4° |
| C12 | N1 | C1 | H1 | 180.0° | 179.8° |
| N1 | PT | N3 | C24 | 169.9° | 157.3° |
| N1 | PT | N3 | N2 | 94.9° | 98.0° |
| N1 | PT | N3 | N4 | 169.9° | 158.1° |
| PT | N1 | C12 | C11 | 0.6° | 0.8° |
| N1 | PT | N2 | N4 | 169.8° | 158.2° |
| N1 | PT | N2 | C11 | 0.6° | 1.4° |
| N1 | PT | N4 | C23 | 98.1° | 101.1° |
| N1 | PT | N2 | C10 | 179.9° | 179.1° |
| N1 | PT | N4 | C22 | 82.0° | 77.0° |
| PT | N1 | C1 | H1 | 0.6° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C11 | 0.0° | 0.2° |
| C5 | C6 | C7 | C8 | 180.0° | 179.7° |
| N3 | C24 | C16 | C23 | 180.0° | 179.6° |
| N3 | C24 | C16 | C17 | 180.0° | 179.7° |
| C24 | N3 | PT | N2 | 95.2° | 104.7° |
| C24 | N3 | PT | N4 | 0.1° | 0.8° |
| N3 | C24 | C23 | N4 | 0.0° | 0.5° |
| N3 | C24 | C23 | C19 | 180.0° | 179.8° |
| C24 | N3 | C13 | H13 | 180.0° | 179.8° |
| PT | N3 | C24 | C16 | 180.0° | 179.2° |
| PT | N3 | C24 | C23 | 0.1° | 0.4° |
| N3 | PT | N2 | N4 | 92.6° | 99.7° |
| N3 | PT | N2 | C11 | 97.0° | 100.7° |
| N3 | PT | N4 | C23 | 0.1° | 1.1° |
| N3 | PT | N2 | C10 | 82.4° | 77.1° |
| N3 | PT | N4 | C22 | 180.0° | 179.1° |
| PT | N3 | C13 | H13 | 0.0° | 0.0° |
| C24 | C16 | C17 | C18 | 0.1° | 0.2° |
| C16 | C24 | C23 | N4 | 180.0° | 179.9° |
| C16 | C24 | C23 | C19 | 0.1° | 0.2° |
| C24 | C16 | C15 | H15 | 180.0° | 179.8° |
| C24 | C16 | C17 | H17 | 179.9° | 179.9° |
| C17 | C16 | C24 | C23 | 0.1° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | H15 | 0.0° | 0.2° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C12 | C11 | N2 | PT | 0.5° | 1.4° |
| C12 | C11 | C7 | C6 | 0.0° | 0.1° |
| C12 | C11 | C7 | N2 | 180.0° | 179.7° |
| C12 | C11 | C7 | C8 | 180.0° | 180.0° |
| C12 | C11 | N2 | C10 | 179.9° | 179.5° |
| C24 | C23 | N4 | PT | 0.0° | 1.2° |
| C24 | C23 | N4 | C19 | 180.0° | 179.7° |
| C24 | C23 | C19 | C18 | 0.0° | 0.1° |
| C24 | C23 | N4 | C22 | 180.0° | 179.5° |
| C24 | C23 | C19 | C20 | 180.0° | 180.0° |
| C17 | C18 | C19 | C23 | 0.1° | 0.2° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.9° | 179.8° |
| PT | N2 | C11 | C7 | 179.5° | 178.9° |
| PT | N2 | C11 | C10 | 179.5° | 178.1° |
| N2 | PT | N4 | C23 | 169.8° | 159.1° |
| N2 | PT | N4 | C22 | 10.2° | 22.8° |
| PT | N2 | C10 | C9 | 179.5° | 178.6° |
| PT | N2 | C10 | H10 | 0.5° | 2.1° |
| N4 | PT | N2 | C11 | 170.4° | 159.6° |
| PT | N4 | C23 | C22 | 179.9° | 178.4° |
| PT | N4 | C23 | C19 | 179.9° | 179.2° |
| N4 | PT | N2 | C10 | 10.2° | 22.6° |
| PT | N4 | C22 | C21 | 179.9° | 178.9° |
| PT | N4 | C22 | H22 | 0.1° | 1.8° |
| C6 | C7 | C11 | C8 | 179.9° | 179.9° |
| C6 | C7 | C11 | N2 | 179.9° | 179.8° |
| C6 | C7 | C8 | C9 | 179.9° | 179.9° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 0.1° | 0.1° |
| C7 | C11 | N2 | C10 | 0.1° | 0.8° |
| C11 | C7 | C8 | C9 | 0.0° | 0.0° |
| C11 | C7 | C6 | H6 | 179.9° | 179.8° |
| C11 | C7 | C8 | H8 | 179.9° | 179.9° |
| N2 | C11 | C7 | C8 | 0.0° | 0.3° |
| C11 | N2 | C10 | C9 | 0.1° | 0.9° |
| C11 | N2 | C10 | H10 | 179.9° | 179.8° |
| N4 | C23 | C19 | C18 | 180.0° | 179.7° |
| N4 | C23 | C19 | C20 | 0.0° | 0.3° |
| C23 | N4 | C22 | C21 | 0.0° | 0.9° |
| C23 | N4 | C22 | H22 | 180.0° | 179.7° |
| C23 | C19 | C18 | C20 | 180.0° | 179.9° |
| C19 | C23 | N4 | C22 | 0.0° | 0.8° |
| C23 | C19 | C20 | C21 | 0.0° | 0.0° |
| C23 | C19 | C18 | H18 | 179.9° | 179.9° |
| C23 | C19 | C20 | H20 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C8 | C7 | C6 | H6 | 0.0° | 0.1° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| N2 | C10 | C9 | C8 | 0.1° | 0.6° |
| N2 | C10 | C9 | H10 | 180.0° | 179.3° |
| N2 | C10 | C9 | H9 | 179.9° | 179.5° |
| C18 | C19 | C20 | C21 | 180.0° | 179.9° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 0.0° | 0.1° |
| N4 | C22 | C21 | H22 | 180.0° | 179.3° |
| N4 | C22 | C21 | C20 | 0.0° | 0.6° |
| N4 | C22 | C21 | H21 | 180.0° | 179.5° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C20 | C19 | C18 | H18 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | H20 | 180.0° | 179.8° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| H1 | C1 | C2 | H2 | 0.0° | 0.4° |
| H2 | C2 | C3 | H3 | 0.0° | 0.3° |
| H5 | C5 | C6 | H6 | 0.0° | 0.4° |
| H8 | C8 | C9 | H9 | 0.0° | 0.2° |
| H9 | C9 | C10 | H10 | 0.1° | 0.3° |
| H13 | C13 | C14 | H14 | 0.0° | 0.4° |
| H14 | C14 | C15 | H15 | 0.0° | 0.2° |
| H17 | C17 | C18 | H18 | 0.1° | 0.3° |
| H20 | C20 | C21 | H21 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.2° |
