P2N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.51Å | |
| C1 | O1 | sing | 1.35Å | 1.43Å | |
| C1 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | O4 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.78Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | O5 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.31Å | 1.32Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O1 | sing | 1.45Å | 1.43Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | HA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 115.7° | 119.8° |
| C2 | C1 | O2 | 124.0° | 120.1° |
| C1 | C2 | C3 | 118.8° | 120.1° |
| C1 | C2 | C7 | 120.7° | 120.2° |
| O1 | C1 | O2 | 120.0° | 120.1° |
| C1 | O1 | C17 | 120.8° | 120.0° |
| C3 | C2 | C7 | 120.4° | 119.7° |
| C2 | C3 | C4 | 120.6° | 119.8° |
| C2 | C3 | O3 | 119.2° | 120.0° |
| C2 | C7 | C6 | 118.3° | 119.9° |
| C2 | C7 | C8 | 121.5° | 120.1° |
| C4 | C3 | O3 | 120.2° | 120.1° |
| C3 | C4 | C5 | 118.1° | 120.0° |
| C3 | C4 | H4 | 121.0° | 119.9° |
| C3 | O3 | H3 | 109.5° | 106.8° |
| C5 | C4 | H4 | 120.9° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.3° |
| C4 | C5 | O4 | 120.6° | 119.8° |
| C6 | C5 | O4 | 118.6° | 119.9° |
| C5 | C6 | C7 | 121.6° | 120.2° |
| C5 | C6 | CL1 | 117.8° | 119.9° |
| C5 | O4 | HA | 109.5° | 106.8° |
| C7 | C6 | CL1 | 120.6° | 119.9° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C7 | C8 | C9 | 115.1° | 109.5° |
| C7 | C8 | H8C1 | 106.3° | 109.5° |
| C7 | C8 | H8C2 | 107.6° | 109.5° |
| C9 | C8 | H8C1 | 106.3° | 109.4° |
| C9 | C8 | H8C2 | 107.6° | 109.4° |
| C8 | C9 | C10 | 124.5° | 120.1° |
| C8 | C9 | O5 | 114.7° | 120.0° |
| H8C1 | C8 | H8C2 | 114.0° | 109.5° |
| C10 | C9 | O5 | 120.8° | 120.0° |
| C9 | C10 | C11 | 115.4° | 109.5° |
| C9 | C10 | H101 | 106.2° | 109.5° |
| C9 | C10 | H102 | 107.6° | 109.5° |
| C11 | C10 | H101 | 106.2° | 109.5° |
| C11 | C10 | H102 | 107.6° | 109.5° |
| C10 | C11 | C12 | 115.2° | 109.5° |
| C10 | C11 | H111 | 106.2° | 109.5° |
| C10 | C11 | H112 | 107.6° | 109.4° |
| H101 | C10 | H102 | 114.2° | 109.5° |
| C12 | C11 | H111 | 106.3° | 109.5° |
| C12 | C11 | H112 | 107.6° | 109.5° |
| C11 | C12 | C13 | 118.0° | 109.5° |
| C11 | C12 | H121 | 104.7° | 109.5° |
| C11 | C12 | H122 | 106.7° | 109.4° |
| H111 | C11 | H112 | 114.1° | 109.5° |
| C13 | C12 | H121 | 104.8° | 109.5° |
| C13 | C12 | H122 | 106.7° | 109.5° |
| C12 | C13 | C14 | 120.8° | 109.5° |
| C12 | C13 | H131 | 103.2° | 109.5° |
| C12 | C13 | H132 | 105.8° | 109.5° |
| H121 | C12 | H122 | 116.4° | 109.5° |
| C14 | C13 | H131 | 103.2° | 109.4° |
| C14 | C13 | H132 | 105.9° | 109.5° |
| C13 | C14 | C15 | 114.9° | 120.0° |
| C13 | C14 | H14 | 122.5° | 120.0° |
| H131 | C13 | H132 | 118.8° | 109.4° |
| C15 | C14 | H14 | 122.6° | 120.0° |
| C14 | C15 | C16 | 127.9° | 120.0° |
| C14 | C15 | H15 | 116.0° | 120.0° |
| C16 | C15 | H15 | 116.0° | 120.0° |
| C15 | C16 | C17 | 115.7° | 109.4° |
| C15 | C16 | H161 | 106.0° | 109.5° |
| C15 | C16 | H162 | 107.4° | 109.5° |
| C17 | C16 | H161 | 106.1° | 109.4° |
| C17 | C16 | H162 | 107.5° | 109.5° |
| C16 | C17 | O1 | 112.3° | 109.4° |
| C16 | C17 | H171 | 107.9° | 109.5° |
| C16 | C17 | H172 | 108.5° | 109.5° |
| H161 | C16 | H162 | 114.4° | 109.5° |
| O1 | C17 | H171 | 107.9° | 109.5° |
| O1 | C17 | H172 | 108.5° | 109.5° |
| H171 | C17 | H172 | 111.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 174.7° | 180.0° |
| C1 | C2 | C3 | C7 | 177.5° | 180.0° |
| C1 | C2 | C3 | C4 | 178.4° | 179.9° |
| C1 | C2 | C3 | O3 | 1.9° | 0.0° |
| C1 | C2 | C7 | C6 | 179.2° | 179.7° |
| C1 | C2 | C7 | C8 | 2.5° | 0.1° |
| C2 | C1 | O1 | C17 | 179.1° | 179.7° |
| O1 | C1 | C2 | C3 | 136.7° | 0.1° |
| O1 | C1 | C2 | C7 | 40.8° | 179.8° |
| C1 | O1 | C17 | C16 | 114.2° | 26.1° |
| C1 | O1 | C17 | H171 | 127.1° | 146.0° |
| C1 | O1 | C17 | H172 | 5.8° | 93.9° |
| O2 | C1 | C2 | C3 | 37.8° | 179.9° |
| O2 | C1 | C2 | C7 | 144.7° | 0.2° |
| O2 | C1 | O1 | C17 | 4.4° | 0.3° |
| C2 | C3 | C4 | O3 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | C7 | C6 | 1.8° | 0.4° |
| C3 | C2 | C7 | C8 | 179.9° | 179.9° |
| C2 | C3 | O3 | H3 | 52.8° | 90.0° |
| C7 | C2 | C3 | C4 | 0.9° | 0.1° |
| C7 | C2 | C3 | O3 | 179.4° | 179.9° |
| C2 | C7 | C6 | C5 | 2.2° | 0.5° |
| C2 | C7 | C6 | C8 | 178.3° | 179.8° |
| C2 | C7 | C6 | CL1 | 178.2° | 179.7° |
| C2 | C7 | C8 | C9 | 100.6° | 78.2° |
| C2 | C7 | C8 | H8C1 | 16.8° | 41.8° |
| C2 | C7 | C8 | H8C2 | 139.4° | 161.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C3 | C4 | C5 | O4 | 178.9° | 180.0° |
| C4 | C3 | O3 | H3 | 127.5° | 90.0° |
| O3 | C3 | C4 | C5 | 180.0° | 180.0° |
| O3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C5 | C6 | O4 | 179.7° | 179.8° |
| C4 | C5 | C6 | C7 | 1.7° | 0.5° |
| C4 | C5 | C6 | CL1 | 178.7° | 179.8° |
| C4 | C5 | O4 | HA | 48.5° | 90.0° |
| H4 | C4 | C5 | C6 | 179.2° | 179.8° |
| H4 | C4 | C5 | O4 | 1.1° | 0.0° |
| C5 | C6 | C7 | CL1 | 179.6° | 179.8° |
| C5 | C6 | C7 | C8 | 179.5° | 179.7° |
| C6 | C5 | O4 | HA | 131.2° | 90.3° |
| O4 | C5 | C6 | C7 | 178.0° | 179.8° |
| O4 | C5 | C6 | CL1 | 1.6° | 0.0° |
| C6 | C7 | C8 | C9 | 81.1° | 101.6° |
| C6 | C7 | C8 | H8C1 | 161.4° | 138.4° |
| C6 | C7 | C8 | H8C2 | 38.9° | 18.4° |
| CL1 | C6 | C7 | C8 | 0.1° | 0.1° |
| C7 | C8 | C9 | H8C1 | 117.5° | 120.0° |
| C7 | C8 | C9 | H8C2 | 120.0° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 118.4° | 120.1° |
| C7 | C8 | C9 | C10 | 1.8° | 177.1° |
| C7 | C8 | C9 | O5 | 177.8° | 3.0° |
| C9 | C8 | H8C1 | H8C2 | 118.4° | 119.9° |
| C8 | C9 | C10 | O5 | 179.6° | 180.0° |
| C8 | C9 | C10 | C11 | 168.4° | 124.1° |
| C8 | C9 | C10 | H101 | 74.2° | 4.1° |
| C8 | C9 | C10 | H102 | 48.4° | 115.9° |
| H8C1 | C8 | C9 | C10 | 115.6° | 62.9° |
| H8C1 | C8 | C9 | O5 | 64.8° | 117.0° |
| H8C2 | C8 | C9 | C10 | 121.8° | 57.0° |
| H8C2 | C8 | C9 | O5 | 57.8° | 123.0° |
| C9 | C10 | C11 | H101 | 117.3° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 118.4° | 120.0° |
| C9 | C10 | C11 | C12 | 145.9° | 120.4° |
| C9 | C10 | C11 | H111 | 28.5° | 119.6° |
| C9 | C10 | C11 | H112 | 94.1° | 0.4° |
| O5 | C9 | C10 | C11 | 12.0° | 55.9° |
| O5 | C9 | C10 | H101 | 105.3° | 175.9° |
| O5 | C9 | C10 | H102 | 132.0° | 64.1° |
| C11 | C10 | H101 | H102 | 118.3° | 120.0° |
| C10 | C11 | C12 | H111 | 117.4° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 118.4° | 120.0° |
| C10 | C11 | C12 | C13 | 80.8° | 138.7° |
| C10 | C11 | C12 | H121 | 163.2° | 18.7° |
| C10 | C11 | C12 | H122 | 39.1° | 101.3° |
| H101 | C10 | C11 | C12 | 96.8° | 0.4° |
| H101 | C10 | C11 | H111 | 145.8° | 120.4° |
| H101 | C10 | C11 | H112 | 23.2° | 119.6° |
| H102 | C10 | C11 | C12 | 25.8° | 119.6° |
| H102 | C10 | C11 | H111 | 91.6° | 0.5° |
| H102 | C10 | C11 | H112 | 145.8° | 120.4° |
| C12 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | C12 | C13 | H121 | 116.0° | 120.1° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 117.6° | 120.0° |
| C11 | C12 | C13 | C14 | 2.2° | 84.8° |
| C11 | C12 | C13 | H131 | 116.6° | 155.2° |
| C11 | C12 | C13 | H132 | 117.8° | 35.3° |
| H111 | C11 | C12 | C13 | 36.5° | 101.3° |
| H111 | C11 | C12 | H121 | 79.4° | 138.7° |
| H111 | C11 | C12 | H122 | 156.5° | 18.7° |
| H112 | C11 | C12 | C13 | 159.2° | 18.8° |
| H112 | C11 | C12 | H121 | 43.2° | 101.3° |
| H112 | C11 | C12 | H122 | 80.8° | 138.7° |
| C13 | C12 | H121 | H122 | 117.6° | 120.0° |
| C12 | C13 | C14 | H131 | 114.4° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 116.7° | 120.0° |
| C12 | C13 | C14 | C15 | 117.8° | 114.6° |
| C12 | C13 | C14 | H14 | 62.2° | 65.4° |
| H121 | C12 | C13 | C14 | 113.8° | 35.3° |
| H121 | C12 | C13 | H131 | 0.6° | 84.7° |
| H121 | C12 | C13 | H132 | 126.2° | 155.3° |
| H122 | C12 | C13 | C14 | 122.2° | 155.2° |
| H122 | C12 | C13 | H131 | 123.4° | 35.3° |
| H122 | C12 | C13 | H132 | 2.2° | 84.7° |
| C14 | C13 | H131 | H132 | 116.8° | 120.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.7° | 179.8° |
| C13 | C14 | C15 | H15 | 0.3° | 0.4° |
| H131 | C13 | C14 | C15 | 127.8° | 125.4° |
| H131 | C13 | C14 | H14 | 52.2° | 54.6° |
| H132 | C13 | C14 | C15 | 2.2° | 5.4° |
| H132 | C13 | C14 | H14 | 177.8° | 174.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 82.5° | 165.7° |
| C14 | C15 | C16 | H161 | 34.7° | 45.7° |
| C14 | C15 | C16 | H162 | 157.5° | 74.4° |
| H14 | C14 | C15 | C16 | 0.2° | 0.2° |
| H14 | C14 | C15 | H15 | 179.8° | 179.6° |
| C15 | C16 | C17 | H161 | 117.2° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 118.2° | 120.0° |
| C15 | C16 | C17 | O1 | 24.3° | 95.9° |
| C15 | C16 | C17 | H171 | 94.4° | 144.1° |
| C15 | C16 | C17 | H172 | 144.3° | 24.1° |
| H15 | C15 | C16 | C17 | 97.5° | 14.6° |
| H15 | C15 | C16 | H161 | 145.3° | 134.5° |
| H15 | C15 | C16 | H162 | 22.5° | 105.4° |
| C17 | C16 | H161 | H162 | 118.3° | 120.0° |
| C16 | C17 | O1 | H171 | 118.8° | 120.0° |
| C16 | C17 | O1 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.2° | 120.0° |
| H161 | C16 | C17 | O1 | 141.5° | 24.0° |
| H161 | C16 | C17 | H171 | 22.8° | 96.0° |
| H161 | C16 | C17 | H172 | 98.5° | 144.0° |
| H162 | C16 | C17 | O1 | 95.7° | 144.1° |
| H162 | C16 | C17 | H171 | 145.6° | 24.1° |
| H162 | C16 | C17 | H172 | 24.3° | 95.9° |
| O1 | C17 | H171 | H172 | 119.2° | 120.1° |
