P2H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C8 | sing | 1.53Å | 1.50Å | |
C7 | N12 | sing | 1.47Å | 1.46Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | P9 | sing | 1.82Å | 1.83Å | |
C8 | O13 | sing | 1.43Å | 1.45Å | |
C8 | P14 | sing | 1.82Å | 1.81Å | |
P9 | O10 | sing | 1.61Å | 1.52Å | |
P9 | O11 | sing | 1.61Å | 1.53Å | |
P9 | O12 | doub | 1.48Å | 1.48Å | |
N12 | C13 | doub | 1.32Å | 1.40Å | Aromatic |
N12 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
O13 | HO13 | sing | 0.97Å | 0.95Å | |
C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
P14 | O15 | sing | 1.61Å | 1.53Å | |
P14 | O16 | sing | 1.61Å | 1.52Å | |
P14 | O17 | doub | 1.48Å | 1.52Å | |
C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
C16 | C18 | sing | 1.48Å | 1.51Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
O10 | H131 | sing | 0.97Å | 0.95Å | |
O11 | H141 | sing | 0.97Å | 0.95Å | |
O15 | H151 | sing | 0.97Å | 0.95Å | |
O16 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C7 | N12 | 121.7° | 109.4° |
C8 | C7 | H7 | 105.6° | 109.5° |
C8 | C7 | H7A | 105.6° | 109.5° |
C7 | C8 | P9 | 111.9° | 109.5° |
C7 | C8 | O13 | 117.4° | 109.5° |
C7 | C8 | P14 | 92.6° | 109.4° |
N12 | C7 | H7 | 105.6° | 109.5° |
N12 | C7 | H7A | 105.6° | 109.4° |
C7 | N12 | C13 | 127.9° | 119.1° |
C7 | N12 | C17 | 106.2° | 119.1° |
H7 | C7 | H7A | 113.1° | 109.5° |
P9 | C8 | O13 | 111.6° | 109.5° |
P9 | C8 | P14 | 112.8° | 109.5° |
C8 | P9 | O10 | 111.1° | 109.5° |
C8 | P9 | O11 | 110.5° | 109.5° |
C8 | P9 | O12 | 99.3° | 109.5° |
O13 | C8 | P14 | 109.1° | 109.4° |
C8 | O13 | HO13 | 109.5° | 113.9° |
C8 | P14 | O15 | 106.0° | 109.5° |
C8 | P14 | O16 | 105.7° | 109.5° |
C8 | P14 | O17 | 106.9° | 109.5° |
O10 | P9 | O11 | 113.6° | 109.5° |
O10 | P9 | O12 | 112.8° | 109.5° |
P9 | O10 | H131 | 109.5° | 114.0° |
O11 | P9 | O12 | 108.5° | 109.5° |
P9 | O11 | H141 | 109.5° | 114.0° |
C13 | N12 | C17 | 125.7° | 121.9° |
N12 | C13 | C14 | 114.4° | 121.0° |
N12 | C13 | H13 | 122.8° | 119.5° |
N12 | C17 | C16 | 121.1° | 120.6° |
N12 | C17 | H17 | 119.5° | 119.7° |
C14 | C13 | H13 | 122.8° | 119.5° |
C13 | C14 | C15 | 120.4° | 119.3° |
C13 | C14 | H14 | 119.8° | 120.3° |
C15 | C14 | H14 | 119.8° | 120.4° |
C14 | C15 | C16 | 121.9° | 118.3° |
C14 | C15 | H15 | 119.0° | 120.8° |
O15 | P14 | O16 | 115.5° | 109.4° |
O15 | P14 | O17 | 111.3° | 109.5° |
P14 | O15 | H151 | 109.5° | 114.0° |
O16 | P14 | O17 | 110.8° | 109.5° |
P14 | O16 | H16 | 109.5° | 114.0° |
C16 | C15 | H15 | 119.1° | 120.8° |
C15 | C16 | C17 | 115.8° | 118.9° |
C15 | C16 | C18 | 126.2° | 120.5° |
C17 | C16 | C18 | 116.6° | 120.6° |
C16 | C17 | H17 | 119.4° | 119.7° |
C16 | C18 | C19 | 122.7° | 120.1° |
C16 | C18 | C23 | 119.1° | 120.1° |
C19 | C18 | C23 | 118.2° | 119.8° |
C18 | C19 | C20 | 118.9° | 119.9° |
C18 | C19 | H19 | 120.6° | 120.1° |
C18 | C23 | C22 | 123.0° | 119.8° |
C18 | C23 | H23 | 118.5° | 120.1° |
C20 | C19 | H19 | 120.5° | 120.0° |
C19 | C20 | C21 | 122.3° | 120.1° |
C19 | C20 | H20 | 118.8° | 120.0° |
C21 | C20 | H20 | 118.9° | 119.9° |
C20 | C21 | C22 | 119.5° | 120.2° |
C20 | C21 | H21 | 120.3° | 119.9° |
C22 | C21 | H21 | 120.2° | 119.9° |
C21 | C22 | C23 | 118.2° | 120.1° |
C21 | C22 | H22 | 120.9° | 120.0° |
C23 | C22 | H22 | 120.9° | 119.9° |
C22 | C23 | H23 | 118.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C7 | N12 | H7 | 120.0° | 120.0° |
C8 | C7 | N12 | H7A | 120.0° | 119.9° |
C8 | C7 | H7 | H7A | 114.9° | 120.1° |
C7 | C8 | P9 | O13 | 133.9° | 120.1° |
C7 | C8 | P9 | P14 | 102.8° | 120.0° |
C7 | C8 | O13 | P14 | 103.5° | 120.0° |
C7 | C8 | P9 | O10 | 73.3° | 60.0° |
C7 | C8 | P9 | O11 | 53.8° | 180.0° |
C7 | C8 | P9 | O12 | 167.7° | 59.9° |
C8 | C7 | N12 | C13 | 10.4° | 97.3° |
C8 | C7 | N12 | C17 | 165.7° | 83.0° |
C7 | C8 | O13 | HO13 | 160.6° | 60.0° |
C7 | C8 | P14 | O15 | 61.4° | 55.2° |
C7 | C8 | P14 | O16 | 175.5° | 64.8° |
C7 | C8 | P14 | O17 | 57.5° | 175.2° |
N12 | C7 | H7 | H7A | 115.0° | 120.0° |
N12 | C7 | C8 | P9 | 151.2° | 65.7° |
N12 | C7 | C8 | O13 | 20.1° | 54.4° |
N12 | C7 | C8 | P14 | 93.0° | 174.4° |
C7 | N12 | C13 | C17 | 175.4° | 179.7° |
C7 | N12 | C13 | C14 | 172.6° | 180.0° |
C7 | N12 | C13 | H13 | 7.4° | 0.0° |
C7 | N12 | C17 | C16 | 179.6° | 179.8° |
C7 | N12 | C17 | H17 | 0.4° | 0.0° |
H7 | C7 | C8 | P9 | 88.8° | 54.3° |
H7 | C7 | C8 | O13 | 140.1° | 174.4° |
H7 | C7 | C8 | P14 | 27.0° | 65.6° |
H7 | C7 | N12 | C13 | 130.4° | 22.7° |
H7 | C7 | N12 | C17 | 45.7° | 157.0° |
H7A | C7 | C8 | P9 | 31.1° | 174.4° |
H7A | C7 | C8 | O13 | 99.9° | 65.5° |
H7A | C7 | C8 | P14 | 147.0° | 54.4° |
H7A | C7 | N12 | C13 | 109.6° | 142.8° |
H7A | C7 | N12 | C17 | 74.3° | 36.9° |
P9 | C8 | O13 | P14 | 125.3° | 120.0° |
C8 | P9 | O10 | O11 | 125.4° | 120.0° |
C8 | P9 | O10 | O12 | 110.6° | 120.0° |
C8 | P9 | O11 | O12 | 107.9° | 120.0° |
P9 | C8 | O13 | HO13 | 29.4° | 60.0° |
P9 | C8 | P14 | O15 | 53.7° | 175.2° |
P9 | C8 | P14 | O16 | 69.4° | 55.2° |
P9 | C8 | P14 | O17 | 172.6° | 64.8° |
C8 | P9 | O10 | H131 | 110.6° | 180.0° |
C8 | P9 | O11 | H141 | 107.9° | 60.0° |
O13 | C8 | P9 | O10 | 60.7° | 60.0° |
O13 | C8 | P9 | O11 | 172.2° | 60.0° |
O13 | C8 | P9 | O12 | 58.3° | 180.0° |
O13 | C8 | P14 | O15 | 178.4° | 64.8° |
O13 | C8 | P14 | O16 | 55.3° | 175.2° |
O13 | C8 | P14 | O17 | 62.8° | 55.2° |
P14 | C8 | P9 | O10 | 176.1° | 180.0° |
P14 | C8 | P9 | O11 | 49.0° | 60.0° |
P14 | C8 | P9 | O12 | 64.9° | 60.0° |
P14 | C8 | O13 | HO13 | 95.9° | 180.0° |
C8 | P14 | O15 | O16 | 116.6° | 120.0° |
C8 | P14 | O15 | O17 | 115.9° | 120.0° |
C8 | P14 | O16 | O17 | 115.4° | 120.0° |
C8 | P14 | O15 | H151 | 116.0° | 55.0° |
C8 | P14 | O16 | H16 | 115.4° | 180.0° |
O10 | P9 | O11 | O12 | 126.4° | 120.0° |
O10 | P9 | O11 | H141 | 126.4° | 60.0° |
O11 | P9 | O10 | H131 | 124.0° | 60.0° |
O12 | P9 | O10 | H131 | 0.0° | 60.0° |
O12 | P9 | O11 | H141 | 0.0° | 179.9° |
N12 | C13 | C14 | H13 | 180.0° | 180.0° |
N12 | C13 | C14 | C15 | 3.6° | 0.0° |
N12 | C13 | C14 | H14 | 176.4° | 180.0° |
C13 | N12 | C17 | C16 | 4.2° | 0.5° |
C13 | N12 | C17 | H17 | 175.8° | 179.7° |
C17 | N12 | C13 | C14 | 2.8° | 0.3° |
C17 | N12 | C13 | H13 | 177.2° | 179.7° |
N12 | C17 | C16 | C15 | 9.7° | 0.5° |
N12 | C17 | C16 | H17 | 180.0° | 179.7° |
N12 | C17 | C16 | C18 | 177.0° | 179.7° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 2.2° | 0.0° |
C13 | C14 | C15 | H15 | 177.8° | 179.9° |
H13 | C13 | C14 | C15 | 176.4° | 180.0° |
H13 | C13 | C14 | H14 | 3.6° | 0.0° |
C14 | C15 | C16 | H15 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 8.8° | 0.2° |
C14 | C15 | C16 | C18 | 174.7° | 180.0° |
H14 | C14 | C15 | C16 | 177.8° | 180.0° |
H14 | C14 | C15 | H15 | 2.2° | 0.0° |
O15 | P14 | O16 | O17 | 127.7° | 120.0° |
O15 | P14 | O16 | H16 | 127.7° | 60.0° |
O16 | P14 | O15 | H151 | 127.4° | 65.0° |
O17 | P14 | O15 | H151 | 0.0° | 175.0° |
O17 | P14 | O16 | H16 | 0.0° | 60.0° |
C15 | C16 | C17 | C18 | 167.3° | 179.8° |
C15 | C16 | C17 | H17 | 170.3° | 179.8° |
C15 | C16 | C18 | C19 | 9.4° | 0.0° |
C15 | C16 | C18 | C23 | 169.0° | 179.8° |
H15 | C15 | C16 | C17 | 171.2° | 179.8° |
H15 | C15 | C16 | C18 | 5.3° | 0.0° |
C17 | C16 | C18 | C19 | 175.1° | 179.8° |
C17 | C16 | C18 | C23 | 3.2° | 0.0° |
C18 | C16 | C17 | H17 | 3.0° | 0.0° |
C16 | C18 | C19 | C23 | 178.3° | 179.7° |
C16 | C18 | C19 | C20 | 178.6° | 180.0° |
C16 | C18 | C19 | H19 | 1.4° | 0.1° |
C16 | C18 | C23 | C22 | 179.7° | 179.7° |
C16 | C18 | C23 | H23 | 0.3° | 0.1° |
C18 | C19 | C20 | H19 | 180.0° | 179.9° |
C18 | C19 | C20 | C21 | 2.4° | 0.0° |
C18 | C19 | C20 | H20 | 177.6° | 180.0° |
C19 | C18 | C23 | C22 | 1.9° | 0.5° |
C19 | C18 | C23 | H23 | 178.1° | 179.7° |
C23 | C18 | C19 | C20 | 3.1° | 0.3° |
C23 | C18 | C19 | H19 | 176.9° | 179.8° |
C18 | C23 | C22 | C21 | 0.1° | 0.5° |
C18 | C23 | C22 | H23 | 180.0° | 179.8° |
C18 | C23 | C22 | H22 | 179.9° | 179.7° |
C19 | C20 | C21 | H20 | 180.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.3° | 0.0° |
C19 | C20 | C21 | H21 | 179.7° | 180.0° |
H19 | C19 | C20 | C21 | 177.6° | 179.9° |
H19 | C19 | C20 | H20 | 2.4° | 0.1° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.9° | 0.2° |
C20 | C21 | C22 | H22 | 179.1° | 180.0° |
H20 | C20 | C21 | C22 | 179.7° | 179.9° |
H20 | C20 | C21 | H21 | 0.3° | 0.0° |
C21 | C22 | C23 | H22 | 180.0° | 179.8° |
C21 | C22 | C23 | H23 | 179.8° | 179.7° |
H21 | C21 | C22 | C23 | 179.1° | 179.8° |
H21 | C21 | C22 | H22 | 0.9° | 0.0° |
H22 | C22 | C23 | H23 | 0.1° | 0.1° |