NP5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O10 | sing | 1.35Å | 1.45Å | |
C1 | C2 | sing | 1.47Å | 1.50Å | |
C1 | O1 | doub | 1.22Å | 1.22Å | |
O10 | C16 | sing | 1.45Å | 1.43Å | |
C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
C2 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | O3 | sing | 1.36Å | 1.37Å | |
C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C5 | O4 | sing | 1.36Å | 1.36Å | |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | CL1 | sing | 1.74Å | 1.60Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C8 | H8C1 | sing | 1.09Å | 1.10Å | |
C8 | H8C2 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C9 | O5 | doub | 1.21Å | 1.22Å | |
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 | 1.51Å | 1.51Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C13 | C14 | doub | 1.31Å | 1.33Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | C15 | sing | 1.51Å | 1.51Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | 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) |
O10 | C1 | C2 | 118.9° | 120.0° |
O10 | C1 | O1 | 119.6° | 120.0° |
C1 | O10 | C16 | 113.1° | 120.2° |
C2 | C1 | O1 | 121.4° | 120.0° |
C1 | C2 | C3 | 120.6° | 120.1° |
C1 | C2 | C7 | 119.5° | 120.1° |
O10 | C16 | C15 | 105.8° | 109.6° |
O10 | C16 | H161 | 111.5° | 109.5° |
O10 | C16 | H162 | 110.7° | 109.5° |
C3 | C2 | C7 | 119.8° | 119.8° |
C2 | C3 | C4 | 120.1° | 119.8° |
C2 | C3 | O3 | 120.2° | 120.2° |
C2 | C7 | C6 | 119.9° | 119.9° |
C2 | C7 | C8 | 120.6° | 120.0° |
C4 | C3 | O3 | 119.7° | 120.1° |
C3 | C4 | C5 | 120.2° | 120.0° |
C3 | C4 | H4 | 119.9° | 120.0° |
C3 | O3 | H3 | 109.5° | 106.7° |
C5 | C4 | H4 | 119.9° | 120.0° |
C4 | C5 | C6 | 119.4° | 120.4° |
C4 | C5 | O4 | 119.6° | 119.8° |
C6 | C5 | O4 | 121.0° | 119.8° |
C5 | C6 | C7 | 120.5° | 120.2° |
C5 | C6 | CL1 | 120.5° | 119.9° |
C5 | O4 | HA | 109.5° | 106.8° |
C7 | C6 | CL1 | 119.0° | 119.9° |
C6 | C7 | C8 | 119.5° | 120.0° |
C7 | C8 | C9 | 111.9° | 109.5° |
C7 | C8 | H8C1 | 108.1° | 109.4° |
C7 | C8 | H8C2 | 108.7° | 109.5° |
C9 | C8 | H8C1 | 108.1° | 109.5° |
C9 | C8 | H8C2 | 108.7° | 109.5° |
C8 | C9 | C10 | 121.6° | 120.0° |
C8 | C9 | O5 | 118.8° | 120.0° |
H8C1 | C8 | H8C2 | 111.4° | 109.4° |
C10 | C9 | O5 | 119.6° | 120.0° |
C9 | C10 | C11 | 112.9° | 109.5° |
C9 | C10 | H101 | 107.6° | 109.4° |
C9 | C10 | H102 | 108.3° | 109.5° |
C11 | C10 | H101 | 107.6° | 109.5° |
C11 | C10 | H102 | 108.3° | 109.5° |
C10 | C11 | C12 | 113.3° | 109.5° |
C10 | C11 | H111 | 107.3° | 109.5° |
C10 | C11 | H112 | 108.2° | 109.5° |
H101 | C10 | H102 | 112.2° | 109.5° |
C12 | C11 | H111 | 107.3° | 109.5° |
C12 | C11 | H112 | 108.2° | 109.5° |
C11 | C12 | C13 | 106.6° | 109.4° |
C11 | C12 | H121 | 111.1° | 109.5° |
C11 | C12 | H122 | 110.5° | 109.4° |
H111 | C11 | H112 | 112.5° | 109.5° |
C13 | C12 | H121 | 111.1° | 109.5° |
C13 | C12 | H122 | 110.4° | 109.5° |
C12 | C13 | C14 | 119.1° | 120.0° |
C12 | C13 | H13 | 120.4° | 120.0° |
H121 | C12 | H122 | 107.3° | 109.5° |
C14 | C13 | H13 | 120.5° | 119.9° |
C13 | C14 | C15 | 120.0° | 120.0° |
C13 | C14 | H14 | 120.0° | 120.0° |
C15 | C14 | H14 | 120.0° | 120.0° |
C14 | C15 | C16 | 105.0° | 109.5° |
C14 | C15 | H151 | 111.9° | 109.5° |
C14 | C15 | H152 | 111.0° | 109.5° |
C16 | C15 | H151 | 111.9° | 109.4° |
C16 | C15 | H152 | 111.0° | 109.5° |
C15 | C16 | H161 | 111.5° | 109.4° |
C15 | C16 | H162 | 110.7° | 109.4° |
H151 | C15 | H152 | 106.1° | 109.4° |
H161 | C16 | H162 | 106.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C1 | C2 | O1 | 179.1° | 179.9° |
O10 | C1 | C2 | C3 | 137.2° | 0.0° |
O10 | C1 | C2 | C7 | 41.9° | 179.8° |
C1 | O10 | C16 | C15 | 165.8° | 66.4° |
C1 | O10 | C16 | H161 | 44.4° | 173.6° |
C1 | O10 | C16 | H162 | 74.2° | 53.6° |
C2 | C1 | O10 | C16 | 164.6° | 178.3° |
C1 | C2 | C3 | C7 | 179.1° | 179.8° |
C1 | C2 | C3 | C4 | 179.9° | 179.6° |
C1 | C2 | C3 | O3 | 0.7° | 0.4° |
C1 | C2 | C7 | C6 | 179.9° | 179.3° |
C1 | C2 | C7 | C8 | 0.5° | 0.3° |
O1 | C1 | O10 | C16 | 16.3° | 1.8° |
O1 | C1 | C2 | C3 | 43.7° | 179.9° |
O1 | C1 | C2 | C7 | 137.2° | 0.3° |
O10 | C16 | C15 | C14 | 10.0° | 82.4° |
O10 | C16 | C15 | H161 | 121.4° | 120.0° |
O10 | C16 | C15 | H162 | 120.0° | 120.0° |
O10 | C16 | C15 | H151 | 111.7° | 37.6° |
O10 | C16 | C15 | H152 | 130.0° | 157.5° |
O10 | C16 | H161 | H162 | 121.0° | 120.0° |
C2 | C3 | C4 | O3 | 179.5° | 180.0° |
C2 | C3 | C4 | C5 | 0.5° | 0.1° |
C2 | C3 | C4 | H4 | 179.6° | 180.0° |
C3 | C2 | C7 | C6 | 0.8° | 0.5° |
C3 | C2 | C7 | C8 | 179.7° | 179.9° |
C2 | C3 | O3 | H3 | 124.2° | 90.0° |
C7 | C2 | C3 | C4 | 0.7° | 0.2° |
C7 | C2 | C3 | O3 | 179.8° | 179.8° |
C2 | C7 | C6 | C5 | 0.5° | 0.6° |
C2 | C7 | C6 | C8 | 179.6° | 179.6° |
C2 | C7 | C6 | CL1 | 179.7° | 179.5° |
C2 | C7 | C8 | C9 | 100.6° | 61.3° |
C2 | C7 | C8 | H8C1 | 18.3° | 178.7° |
C2 | C7 | C8 | H8C2 | 139.4° | 58.7° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 0.2° | 0.2° |
C3 | C4 | C5 | O4 | 179.8° | 179.9° |
C4 | C3 | O3 | H3 | 55.3° | 90.0° |
O3 | C3 | C4 | C5 | 179.9° | 180.0° |
O3 | C3 | C4 | H4 | 0.1° | 0.0° |
C4 | C5 | C6 | O4 | 179.9° | 179.7° |
C4 | C5 | C6 | C7 | 0.3° | 0.4° |
C4 | C5 | C6 | CL1 | 180.0° | 179.7° |
C4 | C5 | O4 | HA | 130.7° | 90.0° |
H4 | C4 | C5 | C6 | 179.8° | 179.9° |
H4 | C4 | C5 | O4 | 0.1° | 0.2° |
C5 | C6 | C7 | CL1 | 179.7° | 179.9° |
C5 | C6 | C7 | C8 | 179.9° | 179.8° |
C6 | C5 | O4 | HA | 49.2° | 90.3° |
O4 | C5 | C6 | C7 | 179.8° | 179.8° |
O4 | C5 | C6 | CL1 | 0.1° | 0.1° |
C6 | C7 | C8 | C9 | 79.8° | 119.0° |
C6 | C7 | C8 | H8C1 | 161.2° | 1.0° |
C6 | C7 | C8 | H8C2 | 40.2° | 120.9° |
CL1 | C6 | C7 | C8 | 0.1° | 0.1° |
C7 | C8 | C9 | H8C1 | 119.0° | 120.0° |
C7 | C8 | C9 | H8C2 | 120.0° | 120.0° |
C7 | C8 | H8C1 | H8C2 | 119.3° | 120.0° |
C7 | C8 | C9 | C10 | 18.6° | 168.1° |
C7 | C8 | C9 | O5 | 162.2° | 12.0° |
C9 | C8 | H8C1 | H8C2 | 119.3° | 120.0° |
C8 | C9 | C10 | O5 | 179.2° | 180.0° |
C8 | C9 | C10 | C11 | 91.1° | 167.6° |
C8 | C9 | C10 | H101 | 150.4° | 72.5° |
C8 | C9 | C10 | H102 | 28.9° | 47.5° |
H8C1 | C8 | C9 | C10 | 137.6° | 48.1° |
H8C1 | C8 | C9 | O5 | 43.2° | 132.0° |
H8C2 | C8 | C9 | C10 | 101.4° | 71.9° |
H8C2 | C8 | C9 | O5 | 77.8° | 108.1° |
C9 | C10 | C11 | H101 | 118.5° | 120.0° |
C9 | C10 | C11 | H102 | 120.0° | 120.0° |
C9 | C10 | H101 | H102 | 119.0° | 120.0° |
C9 | C10 | C11 | C12 | 72.9° | 79.5° |
C9 | C10 | C11 | H111 | 168.8° | 40.5° |
C9 | C10 | C11 | H112 | 47.1° | 160.5° |
O5 | C9 | C10 | C11 | 89.7° | 12.4° |
O5 | C9 | C10 | H101 | 28.8° | 107.6° |
O5 | C9 | C10 | H102 | 150.3° | 132.4° |
C11 | C10 | H101 | H102 | 119.1° | 120.0° |
C10 | C11 | C12 | H111 | 118.3° | 120.0° |
C10 | C11 | C12 | H112 | 120.0° | 120.0° |
C10 | C11 | H111 | H112 | 118.9° | 120.0° |
C10 | C11 | C12 | C13 | 108.5° | 95.8° |
C10 | C11 | C12 | H121 | 12.6° | 144.2° |
C10 | C11 | C12 | H122 | 131.5° | 24.2° |
H101 | C10 | C11 | C12 | 45.6° | 160.5° |
H101 | C10 | C11 | H111 | 72.7° | 79.5° |
H101 | C10 | C11 | H112 | 165.6° | 40.5° |
H102 | C10 | C11 | C12 | 167.1° | 40.5° |
H102 | C10 | C11 | H111 | 48.8° | 160.5° |
H102 | C10 | C11 | H112 | 72.9° | 79.5° |
C12 | C11 | H111 | H112 | 118.9° | 120.0° |
C11 | C12 | C13 | H121 | 121.1° | 120.0° |
C11 | C12 | C13 | H122 | 120.0° | 119.9° |
C11 | C12 | H121 | H122 | 120.8° | 120.0° |
C11 | C12 | C13 | C14 | 86.6° | 131.0° |
C11 | C12 | C13 | H13 | 93.4° | 49.0° |
H111 | C11 | C12 | C13 | 133.1° | 24.2° |
H111 | C11 | C12 | H121 | 105.8° | 95.8° |
H111 | C11 | C12 | H122 | 13.2° | 144.2° |
H112 | C11 | C12 | C13 | 11.5° | 144.2° |
H112 | C11 | C12 | H121 | 132.6° | 24.2° |
H112 | C11 | C12 | H122 | 108.5° | 95.9° |
C13 | C12 | H121 | H122 | 120.7° | 120.1° |
C12 | C13 | C14 | H13 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 178.7° | 180.0° |
C12 | C13 | C14 | H14 | 1.3° | 0.1° |
H121 | C12 | C13 | C14 | 34.5° | 109.0° |
H121 | C12 | C13 | H13 | 145.5° | 71.0° |
H122 | C12 | C13 | C14 | 153.4° | 11.1° |
H122 | C12 | C13 | H13 | 26.6° | 169.0° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 87.9° | 142.9° |
C13 | C14 | C15 | H151 | 150.4° | 23.0° |
C13 | C14 | C15 | H152 | 32.1° | 97.0° |
H13 | C13 | C14 | C15 | 1.3° | 0.1° |
H13 | C13 | C14 | H14 | 178.7° | 179.8° |
C14 | C15 | C16 | H151 | 121.7° | 120.0° |
C14 | C15 | C16 | H152 | 120.0° | 120.1° |
C14 | C15 | H151 | H152 | 121.2° | 120.0° |
C14 | C15 | C16 | H161 | 111.4° | 157.6° |
C14 | C15 | C16 | H162 | 130.0° | 37.6° |
H14 | C14 | C15 | C16 | 92.1° | 37.1° |
H14 | C14 | C15 | H151 | 29.6° | 157.1° |
H14 | C14 | C15 | H152 | 147.9° | 82.9° |
C16 | C15 | H151 | H152 | 121.2° | 120.0° |
C15 | C16 | H161 | H162 | 121.0° | 119.9° |
H151 | C15 | C16 | H161 | 126.9° | 82.4° |
H151 | C15 | C16 | H162 | 8.3° | 157.6° |
H152 | C15 | C16 | H161 | 8.6° | 37.5° |
H152 | C15 | C16 | H162 | 110.0° | 82.4° |