R9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | C3 | doub | 1.35Å | 1.35Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.50Å | |
| N2 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N2 | C6 | sing | 1.47Å | 1.42Å | |
| C3 | C7 | sing | 1.45Å | 1.43Å | Aromatic |
| C5 | C7 | doub | 1.42Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.51Å | 1.47Å | |
| C4 | C9 | sing | 1.53Å | 1.52Å | |
| C4 | C10 | sing | 1.53Å | 1.56Å | |
| C5 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | C13 | sing | 1.40Å | 1.34Å | Aromatic |
| C8 | C14 | sing | 1.53Å | 1.51Å | |
| C9 | C14 | sing | 1.53Å | 1.50Å | |
| C10 | C15 | sing | 1.51Å | 1.46Å | |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C19 | doub | 1.37Å | 1.34Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O20 | sing | 1.34Å | 1.35Å | |
| C15 | O21 | doub | 1.21Å | 1.23Å | |
| C17 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C24 | sing | 1.51Å | 1.46Å | |
| C22 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.08Å | 1.08Å | |
| C13 | H36 | sing | 1.08Å | 1.08Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.08Å | 1.08Å | |
| C17 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| O20 | H42 | sing | 0.97Å | 0.95Å | |
| C22 | H43 | sing | 1.08Å | 1.08Å | |
| C23 | H44 | sing | 1.08Å | 1.08Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 113.2° | 109.8° |
| N2 | C1 | C4 | 121.5° | 126.5° |
| C1 | N2 | C5 | 105.8° | 109.8° |
| C1 | N2 | C6 | 127.6° | 125.1° |
| C3 | C1 | C4 | 125.2° | 123.7° |
| C1 | C3 | C7 | 103.2° | 107.1° |
| C1 | C3 | C8 | 123.6° | 124.4° |
| C1 | C4 | C9 | 106.7° | 108.6° |
| C1 | C4 | C10 | 104.9° | 109.6° |
| C1 | C4 | H26 | 111.4° | 109.6° |
| C5 | N2 | C6 | 126.4° | 125.1° |
| N2 | C5 | C7 | 106.9° | 107.3° |
| N2 | C5 | C11 | 131.7° | 132.1° |
| N2 | C6 | C12 | 115.4° | 109.5° |
| N2 | C6 | H27 | 108.0° | 109.4° |
| N2 | C6 | H28 | 108.0° | 109.5° |
| C3 | C7 | C5 | 110.4° | 106.0° |
| C7 | C3 | C8 | 132.6° | 128.5° |
| C3 | C7 | C13 | 131.0° | 132.7° |
| C7 | C5 | C11 | 121.4° | 120.6° |
| C5 | C7 | C13 | 118.6° | 121.3° |
| C3 | C8 | C14 | 111.8° | 108.6° |
| C3 | C8 | H30 | 108.9° | 109.7° |
| C3 | C8 | H29 | 108.9° | 109.7° |
| C9 | C4 | C10 | 111.8° | 109.6° |
| C4 | C9 | C14 | 115.7° | 109.5° |
| C9 | C4 | H26 | 111.2° | 109.6° |
| C4 | C9 | H32 | 107.9° | 109.5° |
| C4 | C9 | H31 | 107.9° | 109.4° |
| C4 | C10 | C15 | 114.5° | 109.4° |
| C10 | C4 | H26 | 110.6° | 109.8° |
| C4 | C10 | H34 | 108.2° | 109.5° |
| C4 | C10 | H33 | 108.2° | 109.4° |
| C5 | C11 | C16 | 115.3° | 116.9° |
| C5 | C11 | H35 | 122.3° | 121.5° |
| C6 | C12 | C17 | 116.0° | 120.0° |
| C6 | C12 | C18 | 122.3° | 120.0° |
| C12 | C6 | H27 | 108.0° | 109.5° |
| C12 | C6 | H28 | 108.0° | 109.5° |
| C7 | C13 | C19 | 124.0° | 116.9° |
| C7 | C13 | H36 | 118.0° | 121.6° |
| C8 | C14 | C9 | 109.1° | 109.2° |
| C14 | C8 | H30 | 108.9° | 109.6° |
| C14 | C8 | H29 | 108.9° | 109.6° |
| C8 | C14 | H37 | 109.6° | 109.5° |
| C8 | C14 | H38 | 109.6° | 109.5° |
| C14 | C9 | H32 | 107.9° | 109.4° |
| C14 | C9 | H31 | 107.9° | 109.6° |
| C9 | C14 | H37 | 109.5° | 109.6° |
| C9 | C14 | H38 | 109.6° | 109.5° |
| C10 | C15 | O20 | 113.1° | 120.0° |
| C10 | C15 | O21 | 125.3° | 120.0° |
| C15 | C10 | H34 | 108.2° | 109.5° |
| C15 | C10 | H33 | 108.2° | 109.5° |
| C11 | C16 | C19 | 122.7° | 122.3° |
| C16 | C11 | H35 | 122.3° | 121.6° |
| C11 | C16 | H39 | 118.6° | 118.8° |
| C17 | C12 | C18 | 121.7° | 120.0° |
| C12 | C17 | C22 | 119.4° | 120.0° |
| C12 | C17 | H40 | 120.3° | 120.0° |
| C12 | C18 | C23 | 119.1° | 120.0° |
| C12 | C18 | H41 | 120.4° | 120.0° |
| C13 | C19 | C16 | 117.7° | 122.0° |
| C13 | C19 | C24 | 121.8° | 119.0° |
| C19 | C13 | H36 | 118.0° | 121.5° |
| C16 | C19 | C24 | 120.4° | 119.0° |
| C19 | C16 | H39 | 118.6° | 118.9° |
| O20 | C15 | O21 | 121.6° | 120.0° |
| C15 | O20 | H42 | 109.5° | 117.0° |
| C17 | C22 | C25 | 119.4° | 120.0° |
| C22 | C17 | H40 | 120.3° | 120.0° |
| C17 | C22 | H43 | 120.3° | 120.0° |
| C18 | C23 | C25 | 119.3° | 120.0° |
| C23 | C18 | H41 | 120.5° | 120.0° |
| C18 | C23 | H44 | 120.3° | 120.0° |
| C19 | C24 | H46 | 109.5° | 109.5° |
| C19 | C24 | H45 | 109.5° | 109.4° |
| C19 | C24 | H47 | 109.5° | 109.5° |
| C22 | C25 | C23 | 121.0° | 120.0° |
| C25 | C22 | H43 | 120.3° | 120.0° |
| C22 | C25 | H48 | 119.5° | 120.0° |
| C25 | C23 | H44 | 120.4° | 120.0° |
| C23 | C25 | H48 | 119.5° | 120.1° |
| H27 | C6 | H28 | 109.5° | 109.5° |
| H30 | C8 | H29 | 109.5° | 109.8° |
| H32 | C9 | H31 | 109.5° | 109.4° |
| H34 | C10 | H33 | 109.5° | 109.5° |
| H37 | C14 | H38 | 109.5° | 109.5° |
| H46 | C24 | H45 | 109.5° | 109.5° |
| H46 | C24 | H47 | 109.5° | 109.5° |
| H45 | C24 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C4 | 177.9° | 179.7° |
| C1 | N2 | C5 | C6 | 175.3° | 179.9° |
| N2 | C1 | C3 | C7 | 5.7° | 0.0° |
| C1 | N2 | C5 | C7 | 5.2° | 0.1° |
| N2 | C1 | C3 | C8 | 178.0° | 179.9° |
| N2 | C1 | C4 | C9 | 167.3° | 163.2° |
| N2 | C1 | C4 | C10 | 74.0° | 43.4° |
| C1 | N2 | C5 | C11 | 176.9° | 179.9° |
| C1 | N2 | C6 | C12 | 120.9° | 82.2° |
| N2 | C1 | C4 | H26 | 45.8° | 77.1° |
| C1 | N2 | C6 | H27 | 118.2° | 37.8° |
| C1 | N2 | C6 | H28 | 0.1° | 157.7° |
| C3 | C1 | N2 | C5 | 7.1° | 0.1° |
| C3 | C1 | N2 | C6 | 168.1° | 180.0° |
| C1 | C3 | C7 | C8 | 171.2° | 179.9° |
| C1 | C3 | C7 | C5 | 2.2° | 0.0° |
| C3 | C1 | C4 | C9 | 10.4° | 16.5° |
| C3 | C1 | C4 | C10 | 108.3° | 136.2° |
| C1 | C3 | C7 | C13 | 179.5° | 180.0° |
| C1 | C3 | C8 | C14 | 13.6° | 16.5° |
| C3 | C1 | C4 | H26 | 132.0° | 103.3° |
| C1 | C3 | C8 | H30 | 106.8° | 136.1° |
| C1 | C3 | C8 | H29 | 133.9° | 103.2° |
| C4 | C1 | N2 | C5 | 174.9° | 179.7° |
| C4 | C1 | N2 | C6 | 9.9° | 0.4° |
| C4 | C1 | C3 | C7 | 176.4° | 179.7° |
| C4 | C1 | C3 | C8 | 4.1° | 0.4° |
| C1 | C4 | C9 | C10 | 114.1° | 119.7° |
| C1 | C4 | C9 | H26 | 121.7° | 119.7° |
| C1 | C4 | C10 | H26 | 120.3° | 120.4° |
| C1 | C4 | C9 | C14 | 44.3° | 50.1° |
| C1 | C4 | C10 | C15 | 152.9° | 169.3° |
| C1 | C4 | C9 | H32 | 165.1° | 69.9° |
| C1 | C4 | C9 | H31 | 76.7° | 170.2° |
| C1 | C4 | C10 | H34 | 86.3° | 49.3° |
| C1 | C4 | C10 | H33 | 32.2° | 70.7° |
| N2 | C5 | C7 | C3 | 1.9° | 0.1° |
| N2 | C5 | C7 | C11 | 178.2° | 180.0° |
| C5 | N2 | C6 | C12 | 64.8° | 97.7° |
| N2 | C5 | C7 | C13 | 176.6° | 180.0° |
| N2 | C5 | C11 | C16 | 179.7° | 180.0° |
| C5 | N2 | C6 | H27 | 56.0° | 142.4° |
| C5 | N2 | C6 | H28 | 174.3° | 22.4° |
| N2 | C5 | C11 | H35 | 0.3° | 0.1° |
| C6 | N2 | C5 | C7 | 170.1° | 180.0° |
| C6 | N2 | C5 | C11 | 7.8° | 0.0° |
| N2 | C6 | C12 | H27 | 120.9° | 120.0° |
| N2 | C6 | C12 | H28 | 120.9° | 120.1° |
| N2 | C6 | C12 | C17 | 169.1° | 95.9° |
| N2 | C6 | C12 | C18 | 12.5° | 84.4° |
| N2 | C6 | H27 | H28 | 117.3° | 120.0° |
| C3 | C7 | C5 | C13 | 178.5° | 180.0° |
| C3 | C7 | C5 | C11 | 179.9° | 179.9° |
| C7 | C3 | C8 | C14 | 156.2° | 163.4° |
| C3 | C7 | C13 | C19 | 176.1° | 180.0° |
| C7 | C3 | C8 | H30 | 83.5° | 43.8° |
| C7 | C3 | C8 | H29 | 35.8° | 76.9° |
| C3 | C7 | C13 | H36 | 3.9° | 0.1° |
| C5 | C7 | C3 | C8 | 173.5° | 179.9° |
| C7 | C5 | C11 | C16 | 2.6° | 0.0° |
| C5 | C7 | C13 | C19 | 5.8° | 0.0° |
| C7 | C5 | C11 | H35 | 177.4° | 180.0° |
| C5 | C7 | C13 | H36 | 174.2° | 180.0° |
| C8 | C3 | C7 | C13 | 8.3° | 0.1° |
| C3 | C8 | C14 | H30 | 120.3° | 119.7° |
| C3 | C8 | C14 | H29 | 120.4° | 119.8° |
| C3 | C8 | C14 | C9 | 44.1° | 49.8° |
| C3 | C8 | H30 | H29 | 118.9° | 120.6° |
| C3 | C8 | C14 | H37 | 164.0° | 70.2° |
| C3 | C8 | C14 | H38 | 75.9° | 169.7° |
| C9 | C4 | C10 | H26 | 124.5° | 120.5° |
| C4 | C9 | C14 | C8 | 63.5° | 70.1° |
| C4 | C9 | C14 | H32 | 120.9° | 120.0° |
| C4 | C9 | C14 | H31 | 120.9° | 120.0° |
| C9 | C4 | C10 | C15 | 91.9° | 50.3° |
| C4 | C9 | H32 | H31 | 117.2° | 119.9° |
| C9 | C4 | C10 | H34 | 28.9° | 69.8° |
| C9 | C4 | C10 | H33 | 147.4° | 170.2° |
| C4 | C9 | C14 | H37 | 176.5° | 49.8° |
| C4 | C9 | C14 | H38 | 56.4° | 170.0° |
| C10 | C4 | C9 | C14 | 69.9° | 169.8° |
| C4 | C10 | C15 | H34 | 120.7° | 120.0° |
| C4 | C10 | C15 | H33 | 120.7° | 119.9° |
| C4 | C10 | C15 | O20 | 179.6° | 180.0° |
| C4 | C10 | C15 | O21 | 1.7° | 0.0° |
| C10 | C4 | C9 | H32 | 51.0° | 49.8° |
| C10 | C4 | C9 | H31 | 169.2° | 70.1° |
| C4 | C10 | H34 | H33 | 117.7° | 120.0° |
| C11 | C5 | C7 | C13 | 1.6° | 0.0° |
| C5 | C11 | C16 | H35 | 180.0° | 179.9° |
| C5 | C11 | C16 | C19 | 3.2° | 0.1° |
| C5 | C11 | C16 | H39 | 176.8° | 180.0° |
| C6 | C12 | C17 | C18 | 178.4° | 179.7° |
| C6 | C12 | C17 | C22 | 179.5° | 180.0° |
| C6 | C12 | C18 | C23 | 178.7° | 180.0° |
| C12 | C6 | H27 | H28 | 117.3° | 120.0° |
| C6 | C12 | C17 | H40 | 0.5° | 0.0° |
| C6 | C12 | C18 | H41 | 1.3° | 0.1° |
| C7 | C13 | C19 | H36 | 180.0° | 180.0° |
| C7 | C13 | C19 | C16 | 5.3° | 0.1° |
| C7 | C13 | C19 | C24 | 178.1° | 180.0° |
| C8 | C14 | C9 | H37 | 120.0° | 119.9° |
| C8 | C14 | C9 | H38 | 119.9° | 119.9° |
| C14 | C8 | H30 | H29 | 118.9° | 120.4° |
| C8 | C14 | C9 | H32 | 175.6° | 49.9° |
| C8 | C14 | C9 | H31 | 57.4° | 169.8° |
| C8 | C14 | H37 | H38 | 120.2° | 120.1° |
| C14 | C9 | C4 | H26 | 165.9° | 69.6° |
| C9 | C14 | C8 | H30 | 76.3° | 169.6° |
| C9 | C14 | C8 | H29 | 164.5° | 69.9° |
| C14 | C9 | H32 | H31 | 117.2° | 120.1° |
| C9 | C14 | H37 | H38 | 120.2° | 120.2° |
| C10 | C15 | O20 | O21 | 178.1° | 180.0° |
| C15 | C10 | C4 | H26 | 32.6° | 70.2° |
| C15 | C10 | H34 | H33 | 117.7° | 120.1° |
| C10 | C15 | O20 | H42 | 178.1° | 180.0° |
| C11 | C16 | C19 | C13 | 0.5° | 0.1° |
| C11 | C16 | C19 | H39 | 180.0° | 179.9° |
| C11 | C16 | C19 | C24 | 177.1° | 179.9° |
| C12 | C17 | C22 | H40 | 180.0° | 180.0° |
| C17 | C12 | C18 | C23 | 0.4° | 0.2° |
| C12 | C17 | C22 | C25 | 0.5° | 0.0° |
| C17 | C12 | C6 | H27 | 48.2° | 24.0° |
| C17 | C12 | C6 | H28 | 70.1° | 144.0° |
| C17 | C12 | C18 | H41 | 179.6° | 179.7° |
| C12 | C17 | C22 | H43 | 179.5° | 180.0° |
| C18 | C12 | C17 | C22 | 1.1° | 0.3° |
| C12 | C18 | C23 | H41 | 180.0° | 179.9° |
| C12 | C18 | C23 | C25 | 2.0° | 0.0° |
| C18 | C12 | C6 | H27 | 133.4° | 155.7° |
| C18 | C12 | C6 | H28 | 108.3° | 35.7° |
| C18 | C12 | C17 | H40 | 178.9° | 179.7° |
| C12 | C18 | C23 | H44 | 178.0° | 180.0° |
| C13 | C19 | C16 | C24 | 176.6° | 179.9° |
| C13 | C19 | C16 | H39 | 179.5° | 179.9° |
| C13 | C19 | C24 | H46 | 88.2° | 90.0° |
| C13 | C19 | C24 | H45 | 151.8° | 150.0° |
| C13 | C19 | C24 | H47 | 31.8° | 30.0° |
| C19 | C16 | C11 | H35 | 176.8° | 180.0° |
| C16 | C19 | C13 | H36 | 174.7° | 179.9° |
| C16 | C19 | C24 | H46 | 88.3° | 89.9° |
| C16 | C19 | C24 | H45 | 31.7° | 30.1° |
| C16 | C19 | C24 | H47 | 151.7° | 150.1° |
| O20 | C15 | C10 | H34 | 59.6° | 60.0° |
| O20 | C15 | C10 | H33 | 58.9° | 60.1° |
| O21 | C15 | C10 | H34 | 122.4° | 120.0° |
| O21 | C15 | C10 | H33 | 119.1° | 119.9° |
| O21 | C15 | O20 | H42 | 0.0° | 0.1° |
| C17 | C22 | C25 | H43 | 180.0° | 180.0° |
| C17 | C22 | C25 | C23 | 2.9° | 0.2° |
| C17 | C22 | C25 | H48 | 177.1° | 180.0° |
| C18 | C23 | C25 | C22 | 3.6° | 0.3° |
| C18 | C23 | C25 | H44 | 180.0° | 179.9° |
| C18 | C23 | C25 | H48 | 176.4° | 180.0° |
| C24 | C19 | C13 | H36 | 1.9° | 0.0° |
| C24 | C19 | C16 | H39 | 2.9° | 0.0° |
| C19 | C24 | H46 | H45 | 120.0° | 120.0° |
| C19 | C24 | H46 | H47 | 120.0° | 120.0° |
| C19 | C24 | H45 | H47 | 120.0° | 120.0° |
| C22 | C25 | C23 | H48 | 180.0° | 179.8° |
| C25 | C22 | C17 | H40 | 179.5° | 180.0° |
| C22 | C25 | C23 | H44 | 176.4° | 179.8° |
| C25 | C23 | C18 | H41 | 178.0° | 179.9° |
| C23 | C25 | C22 | H43 | 177.1° | 179.7° |
| H26 | C4 | C9 | H32 | 73.2° | 170.4° |
| H26 | C4 | C9 | H31 | 45.0° | 50.5° |
| H26 | C4 | C10 | H34 | 153.4° | 169.8° |
| H26 | C4 | C10 | H33 | 88.1° | 49.7° |
| H30 | C8 | C14 | H37 | 43.7° | 49.6° |
| H30 | C8 | C14 | H38 | 163.8° | 70.5° |
| H29 | C8 | C14 | H37 | 75.6° | 170.1° |
| H29 | C8 | C14 | H38 | 44.5° | 50.0° |
| H32 | C9 | C14 | H37 | 55.6° | 169.8° |
| H32 | C9 | C14 | H38 | 64.5° | 70.0° |
| H31 | C9 | C14 | H37 | 62.5° | 70.2° |
| H31 | C9 | C14 | H38 | 177.3° | 49.9° |
| H35 | C11 | C16 | H39 | 3.2° | 0.0° |
| H40 | C17 | C22 | H43 | 0.5° | 0.0° |
| H41 | C18 | C23 | H44 | 2.0° | 0.1° |
| H43 | C22 | C25 | H48 | 2.9° | 0.0° |
| H44 | C23 | C25 | H48 | 3.6° | 0.0° |
| H46 | C24 | H45 | H47 | 120.0° | 120.0° |
