P2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N1 | sing | 1.46Å | 1.42Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.30Å | |
| N1 | C1 | sing | 1.39Å | 1.33Å | |
| C4 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.71Å | |
| S1 | C2 | sing | 1.76Å | 1.68Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N2 | C15 | 108.0° | 111.0° |
| C16 | N2 | C14 | 108.9° | 111.0° |
| N2 | C16 | H1 | 109.5° | 109.4° |
| N2 | C16 | H2 | 109.5° | 109.5° |
| N2 | C16 | H3 | 109.5° | 109.4° |
| C15 | N2 | C14 | 105.0° | 111.0° |
| N2 | C15 | H5 | 109.5° | 109.5° |
| N2 | C15 | H6 | 109.5° | 109.5° |
| N2 | C15 | H7 | 109.5° | 109.4° |
| N2 | C14 | C13 | 105.8° | 109.5° |
| N2 | C14 | H8 | 110.4° | 109.4° |
| N2 | C14 | H9 | 110.4° | 109.4° |
| C14 | C13 | C12 | 111.5° | 109.5° |
| C13 | C14 | H8 | 110.4° | 109.5° |
| C13 | C14 | H9 | 110.4° | 109.5° |
| C14 | C13 | H10 | 109.0° | 109.5° |
| C14 | C13 | H11 | 109.0° | 109.5° |
| C13 | C12 | N1 | 104.7° | 109.5° |
| C12 | C13 | H10 | 109.0° | 109.5° |
| C12 | C13 | H11 | 109.0° | 109.5° |
| C13 | C12 | H12 | 110.7° | 109.5° |
| C13 | C12 | H13 | 110.6° | 109.5° |
| C12 | N1 | C4 | 114.9° | 117.8° |
| C12 | N1 | C1 | 126.2° | 117.7° |
| N1 | C12 | H12 | 110.6° | 109.5° |
| N1 | C12 | H13 | 110.6° | 109.4° |
| C10 | C11 | C4 | 118.1° | 120.4° |
| C11 | C10 | C9 | 119.9° | 120.1° |
| C10 | C11 | H18 | 121.0° | 119.9° |
| C11 | C10 | H19 | 120.1° | 119.9° |
| C11 | C4 | N1 | 118.0° | 118.8° |
| C11 | C4 | C3 | 122.9° | 119.2° |
| C4 | C11 | H18 | 120.9° | 119.8° |
| C10 | C9 | C8 | 121.5° | 119.9° |
| C9 | C10 | H19 | 120.1° | 120.0° |
| C10 | C9 | H20 | 119.3° | 120.0° |
| C4 | N1 | C1 | 118.9° | 124.5° |
| N1 | C4 | C3 | 119.1° | 122.0° |
| N1 | C1 | C2 | 119.2° | 121.9° |
| N1 | C1 | C17 | 121.3° | 118.8° |
| C4 | C3 | C8 | 118.3° | 120.0° |
| C4 | C3 | S1 | 120.0° | 120.7° |
| C9 | C8 | C3 | 119.3° | 120.4° |
| C8 | C9 | H20 | 119.3° | 120.1° |
| C9 | C8 | H21 | 120.3° | 119.8° |
| C8 | C3 | S1 | 121.7° | 119.3° |
| C3 | C8 | H21 | 120.3° | 119.8° |
| C3 | S1 | C2 | 97.6° | 103.4° |
| S1 | C2 | C1 | 119.7° | 120.7° |
| S1 | C2 | C7 | 120.1° | 119.3° |
| C2 | C1 | C17 | 119.6° | 119.3° |
| C1 | C2 | C7 | 120.1° | 120.0° |
| C1 | C17 | C5 | 120.7° | 120.4° |
| C1 | C17 | H14 | 119.7° | 119.8° |
| C2 | C7 | C6 | 119.4° | 120.2° |
| C2 | C7 | H17 | 120.3° | 119.9° |
| C17 | C5 | C6 | 119.7° | 120.1° |
| C5 | C17 | H14 | 119.6° | 119.8° |
| C17 | C5 | H15 | 120.2° | 119.9° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C7 | C6 | H16 | 119.8° | 120.0° |
| C6 | C7 | H17 | 120.3° | 119.9° |
| C6 | C5 | H15 | 120.1° | 120.0° |
| C5 | C6 | H16 | 119.7° | 120.0° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.4° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N2 | C15 | C14 | 116.1° | 124.0° |
| C16 | N2 | C14 | C13 | 136.3° | 66.0° |
| N2 | C16 | H1 | H2 | 120.0° | 120.0° |
| N2 | C16 | H1 | H3 | 120.0° | 119.9° |
| N2 | C16 | H2 | H3 | 120.0° | 119.9° |
| C16 | N2 | C15 | H5 | 180.0° | 63.9° |
| C16 | N2 | C15 | H6 | 60.0° | 176.0° |
| C16 | N2 | C15 | H7 | 60.0° | 56.0° |
| C16 | N2 | C14 | H8 | 104.3° | 173.9° |
| C16 | N2 | C14 | H9 | 16.8° | 54.0° |
| C15 | N2 | C14 | C13 | 20.8° | 170.0° |
| C15 | N2 | C16 | H1 | 180.0° | 60.0° |
| C15 | N2 | C16 | H2 | 60.0° | 180.0° |
| C15 | N2 | C16 | H3 | 60.0° | 60.0° |
| N2 | C15 | H5 | H6 | 120.0° | 120.1° |
| N2 | C15 | H5 | H7 | 120.0° | 119.9° |
| N2 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | N2 | C14 | H8 | 140.2° | 50.0° |
| C15 | N2 | C14 | H9 | 98.7° | 70.0° |
| N2 | C14 | C13 | H8 | 119.4° | 120.0° |
| N2 | C14 | C13 | H9 | 119.4° | 119.9° |
| N2 | C14 | C13 | C12 | 157.1° | 180.0° |
| C14 | N2 | C16 | H1 | 66.5° | 176.1° |
| C14 | N2 | C16 | H2 | 173.5° | 56.0° |
| C14 | N2 | C16 | H3 | 53.5° | 63.9° |
| C14 | N2 | C15 | H5 | 63.9° | 60.1° |
| C14 | N2 | C15 | H6 | 56.2° | 60.0° |
| C14 | N2 | C15 | H7 | 176.1° | 180.0° |
| N2 | C14 | H8 | H9 | 121.7° | 119.9° |
| N2 | C14 | C13 | H10 | 36.8° | 60.0° |
| N2 | C14 | C13 | H11 | 82.6° | 60.0° |
| C14 | C13 | C12 | H10 | 120.3° | 120.0° |
| C14 | C13 | C12 | H11 | 120.3° | 120.0° |
| C14 | C13 | C12 | N1 | 107.0° | 180.0° |
| C13 | C14 | H8 | H9 | 121.7° | 120.1° |
| C14 | C13 | H10 | H11 | 119.1° | 120.0° |
| C14 | C13 | C12 | H12 | 12.2° | 60.0° |
| C14 | C13 | C12 | H13 | 133.7° | 60.0° |
| C13 | C12 | N1 | H12 | 119.3° | 120.0° |
| C13 | C12 | N1 | H13 | 119.2° | 120.0° |
| C13 | C12 | N1 | C4 | 82.8° | 90.1° |
| C13 | C12 | N1 | C1 | 96.3° | 90.2° |
| C12 | C13 | C14 | H8 | 83.5° | 60.0° |
| C12 | C13 | C14 | H9 | 37.6° | 60.0° |
| C12 | C13 | H10 | H11 | 119.1° | 120.0° |
| C13 | C12 | H12 | H13 | 122.2° | 120.0° |
| C12 | N1 | C4 | C11 | 45.8° | 24.3° |
| C12 | N1 | C4 | C1 | 179.2° | 179.8° |
| C12 | N1 | C4 | C3 | 134.6° | 155.8° |
| C12 | N1 | C1 | C2 | 135.0° | 155.5° |
| C12 | N1 | C1 | C17 | 46.6° | 24.4° |
| N1 | C12 | C13 | H10 | 132.7° | 60.0° |
| N1 | C12 | C13 | H11 | 13.3° | 60.0° |
| N1 | C12 | H12 | H13 | 122.2° | 120.0° |
| C10 | C11 | C4 | H18 | 180.0° | 180.0° |
| C11 | C10 | C9 | H19 | 180.0° | 179.9° |
| C10 | C11 | C4 | N1 | 179.2° | 179.8° |
| C10 | C11 | C4 | C3 | 0.4° | 0.4° |
| C11 | C10 | C9 | C8 | 0.4° | 0.6° |
| C11 | C10 | C9 | H20 | 179.6° | 179.9° |
| C4 | C11 | C10 | C9 | 0.5° | 0.0° |
| C11 | C4 | N1 | C3 | 179.6° | 179.9° |
| C11 | C4 | N1 | C1 | 135.1° | 155.9° |
| C11 | C4 | C3 | C8 | 0.2° | 0.2° |
| C11 | C4 | C3 | S1 | 179.4° | 180.0° |
| C4 | C11 | C10 | H19 | 179.5° | 180.0° |
| C10 | C9 | C8 | H20 | 180.0° | 179.5° |
| C10 | C9 | C8 | C3 | 0.1° | 0.8° |
| C9 | C10 | C11 | H18 | 179.5° | 180.0° |
| C10 | C9 | C8 | H21 | 179.9° | 180.0° |
| N1 | C4 | C3 | C8 | 179.4° | 179.9° |
| N1 | C4 | C3 | S1 | 0.2° | 0.1° |
| C4 | N1 | C1 | C2 | 44.0° | 24.3° |
| C4 | N1 | C1 | C17 | 134.3° | 155.8° |
| C4 | N1 | C12 | H12 | 36.5° | 149.9° |
| C4 | N1 | C12 | H13 | 158.0° | 30.0° |
| N1 | C4 | C11 | H18 | 0.8° | 0.3° |
| C1 | N1 | C4 | C3 | 44.5° | 24.0° |
| N1 | C1 | C2 | S1 | 1.5° | 0.5° |
| N1 | C1 | C2 | C17 | 178.4° | 179.9° |
| N1 | C1 | C2 | C7 | 178.8° | 179.7° |
| N1 | C1 | C17 | C5 | 178.6° | 179.8° |
| C1 | N1 | C12 | H12 | 144.4° | 29.9° |
| C1 | N1 | C12 | H13 | 22.9° | 149.8° |
| N1 | C1 | C17 | H14 | 1.4° | 0.2° |
| C4 | C3 | C8 | C9 | 0.0° | 0.4° |
| C4 | C3 | C8 | S1 | 179.2° | 179.8° |
| C4 | C3 | S1 | C2 | 33.5° | 17.7° |
| C3 | C4 | C11 | H18 | 179.6° | 179.6° |
| C4 | C3 | C8 | H21 | 180.0° | 179.6° |
| C9 | C8 | C3 | H21 | 180.0° | 179.2° |
| C9 | C8 | C3 | S1 | 179.2° | 179.4° |
| C8 | C9 | C10 | H19 | 179.6° | 179.5° |
| C8 | C3 | S1 | C2 | 145.7° | 162.5° |
| C3 | C8 | C9 | H20 | 179.9° | 179.7° |
| C3 | S1 | C2 | C1 | 33.8° | 17.4° |
| C3 | S1 | C2 | C7 | 146.5° | 162.4° |
| S1 | C3 | C8 | H21 | 0.8° | 0.2° |
| S1 | C2 | C1 | C7 | 179.7° | 179.8° |
| S1 | C2 | C1 | C17 | 179.8° | 179.5° |
| S1 | C2 | C7 | C6 | 179.6° | 179.6° |
| S1 | C2 | C7 | H17 | 0.4° | 0.3° |
| C2 | C1 | C17 | C5 | 0.3° | 0.1° |
| C1 | C2 | C7 | C6 | 0.1° | 0.1° |
| C2 | C1 | C17 | H14 | 179.7° | 179.9° |
| C1 | C2 | C7 | H17 | 179.9° | 179.9° |
| C17 | C1 | C2 | C7 | 0.4° | 0.2° |
| C1 | C17 | C5 | H14 | 180.0° | 180.0° |
| C1 | C17 | C5 | C6 | 0.4° | 0.0° |
| C1 | C17 | C5 | H15 | 179.6° | 180.0° |
| C2 | C7 | C6 | H17 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.8° | 0.0° |
| C2 | C7 | C6 | H16 | 179.2° | 180.0° |
| C17 | C5 | C6 | C7 | 1.0° | 0.1° |
| C17 | C5 | C6 | H15 | 180.0° | 180.0° |
| C17 | C5 | C6 | H16 | 179.0° | 180.0° |
| C7 | C6 | C5 | H16 | 180.0° | 179.9° |
| C7 | C6 | C5 | H15 | 179.0° | 179.9° |
| C6 | C5 | C17 | H14 | 179.6° | 180.0° |
| C5 | C6 | C7 | H17 | 179.2° | 179.9° |
| H1 | C16 | H2 | H3 | 120.0° | 120.1° |
| H5 | C15 | H6 | H7 | 120.0° | 119.9° |
| H8 | C14 | C13 | H10 | 156.2° | 180.0° |
| H8 | C14 | C13 | H11 | 36.8° | 60.0° |
| H9 | C14 | C13 | H10 | 82.7° | 60.0° |
| H9 | C14 | C13 | H11 | 158.0° | 179.9° |
| H10 | C13 | C12 | H12 | 108.1° | 180.0° |
| H10 | C13 | C12 | H13 | 13.4° | 60.0° |
| H11 | C13 | C12 | H12 | 132.6° | 60.0° |
| H11 | C13 | C12 | H13 | 105.9° | 180.0° |
| H14 | C17 | C5 | H15 | 0.4° | 0.0° |
| H15 | C5 | C6 | H16 | 1.0° | 0.0° |
| H16 | C6 | C7 | H17 | 0.8° | 0.0° |
| H18 | C11 | C10 | H19 | 0.5° | 0.1° |
| H19 | C10 | C9 | H20 | 0.4° | 0.0° |
| H20 | C9 | C8 | H21 | 0.1° | 0.4° |
