5P4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.53Å | 1.51Å | |
C1 | C2 | sing | 1.53Å | 1.49Å | |
C1 | O | sing | 1.45Å | 1.47Å | |
O3 | C3 | doub | 1.22Å | 1.21Å | |
O | C3 | sing | 1.35Å | 1.35Å | |
C3 | N | sing | 1.35Å | 1.35Å | |
N | C4 | sing | 1.46Å | 1.46Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | C15 | sing | 1.51Å | 1.51Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
C6 | N1 | sing | 1.47Å | 1.48Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C17 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
C17 | C16 | doub | 1.36Å | 1.35Å | Aromatic |
N1 | C10 | sing | 1.40Å | 1.43Å | |
N1 | C8 | sing | 1.35Å | 1.38Å | |
C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
O1 | C8 | doub | 1.21Å | 1.22Å | |
C8 | C9 | sing | 1.51Å | 1.50Å | |
C18 | C19 | doub | 1.35Å | 1.33Å | Aromatic |
C13 | C16 | sing | 1.48Å | 1.48Å | |
C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C16 | O2 | sing | 1.35Å | 1.37Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | O2 | sing | 1.34Å | 1.39Å | Aromatic |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C1 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C2 | H16 | sing | 1.09Å | 1.10Å | |
C2 | H17 | sing | 1.09Å | 1.10Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C | H19 | sing | 1.09Å | 1.10Å | |
C | H20 | sing | 1.09Å | 1.10Å | |
N | H21 | sing | 0.97Å | 1.00Å | |
C19 | H22 | sing | 1.08Å | 1.08Å | |
C18 | H23 | sing | 1.08Å | 1.08Å | |
C17 | H24 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C1 | C2 | 112.6° | 109.5° |
C | C1 | O | 107.1° | 109.5° |
C | C1 | H14 | 109.9° | 109.4° |
C1 | C | H18 | 109.5° | 109.4° |
C1 | C | H19 | 109.4° | 109.5° |
C1 | C | H20 | 109.5° | 109.5° |
C2 | C1 | O | 106.3° | 109.5° |
C2 | C1 | H14 | 110.3° | 109.5° |
C1 | C2 | H15 | 109.5° | 109.5° |
C1 | C2 | H16 | 109.4° | 109.5° |
C1 | C2 | H17 | 109.4° | 109.5° |
C1 | O | C3 | 116.8° | 117.0° |
O | C1 | H14 | 110.5° | 109.5° |
O3 | C3 | O | 124.1° | 120.0° |
O3 | C3 | N | 124.6° | 119.9° |
O | C3 | N | 111.3° | 120.0° |
C3 | N | C4 | 128.4° | 120.0° |
C3 | N | H21 | 115.8° | 120.0° |
N | C4 | C5 | 114.4° | 109.3° |
N | C4 | C15 | 114.4° | 109.3° |
N | C4 | H1 | 107.0° | 109.2° |
C4 | N | H21 | 115.8° | 120.0° |
C5 | C4 | C15 | 107.6° | 110.5° |
C4 | C5 | C6 | 113.8° | 108.9° |
C5 | C4 | H1 | 106.4° | 109.2° |
C4 | C5 | H2 | 108.4° | 109.6° |
C4 | C5 | H3 | 108.4° | 109.5° |
C4 | C15 | C14 | 122.8° | 118.8° |
C4 | C15 | C10 | 117.9° | 121.5° |
C15 | C4 | H1 | 106.5° | 109.3° |
C5 | C6 | N1 | 112.6° | 107.8° |
C5 | C6 | C7 | 111.5° | 109.8° |
C6 | C5 | H2 | 108.4° | 109.6° |
C6 | C5 | H3 | 108.4° | 109.6° |
C5 | C6 | H4 | 106.6° | 109.8° |
C14 | C15 | C10 | 119.2° | 119.7° |
C15 | C14 | C13 | 121.2° | 120.2° |
C15 | C14 | H13 | 119.4° | 119.9° |
C15 | C10 | N1 | 116.9° | 120.8° |
C15 | C10 | C11 | 120.1° | 120.3° |
C14 | C13 | C16 | 120.1° | 120.1° |
C14 | C13 | C12 | 118.8° | 119.8° |
C13 | C14 | H13 | 119.4° | 119.9° |
N1 | C6 | C7 | 111.6° | 109.9° |
C6 | N1 | C10 | 118.7° | 118.9° |
C6 | N1 | C8 | 115.9° | 120.5° |
N1 | C6 | H4 | 107.2° | 109.8° |
C7 | C6 | H4 | 106.9° | 109.8° |
C6 | C7 | H5 | 109.5° | 109.5° |
C6 | C7 | H6 | 109.5° | 109.5° |
C6 | C7 | H7 | 109.4° | 109.5° |
C18 | C17 | C16 | 106.6° | 106.7° |
C17 | C18 | C19 | 106.9° | 107.0° |
C17 | C18 | H23 | 126.6° | 126.5° |
C18 | C17 | H24 | 126.7° | 126.7° |
C17 | C16 | C13 | 132.9° | 125.9° |
C17 | C16 | O2 | 109.8° | 108.1° |
C16 | C17 | H24 | 126.7° | 126.6° |
C10 | N1 | C8 | 125.3° | 120.6° |
N1 | C10 | C11 | 123.0° | 119.0° |
N1 | C8 | O1 | 120.7° | 120.1° |
N1 | C8 | C9 | 119.5° | 120.0° |
C10 | C11 | C12 | 119.8° | 120.3° |
C10 | C11 | H11 | 120.1° | 119.9° |
O1 | C8 | C9 | 119.9° | 120.0° |
C8 | C9 | H8 | 109.5° | 109.4° |
C8 | C9 | H9 | 109.5° | 109.5° |
C8 | C9 | H10 | 109.5° | 109.5° |
C18 | C19 | O2 | 110.5° | 108.7° |
C18 | C19 | H22 | 124.8° | 125.6° |
C19 | C18 | H23 | 126.6° | 126.5° |
C16 | C13 | C12 | 121.2° | 120.1° |
C13 | C16 | O2 | 117.2° | 125.9° |
C13 | C12 | C11 | 120.9° | 119.7° |
C13 | C12 | H12 | 119.5° | 120.1° |
C16 | O2 | C19 | 106.2° | 109.4° |
C12 | C11 | H11 | 120.1° | 119.8° |
C11 | C12 | H12 | 119.5° | 120.2° |
O2 | C19 | H22 | 124.7° | 125.7° |
H2 | C5 | H3 | 109.5° | 109.6° |
H5 | C7 | H6 | 109.5° | 109.5° |
H5 | C7 | H7 | 109.5° | 109.5° |
H6 | C7 | H7 | 109.4° | 109.4° |
H8 | C9 | H9 | 109.4° | 109.5° |
H8 | C9 | H10 | 109.4° | 109.5° |
H9 | C9 | H10 | 109.5° | 109.5° |
H15 | C2 | H16 | 109.5° | 109.5° |
H15 | C2 | H17 | 109.5° | 109.5° |
H16 | C2 | H17 | 109.5° | 109.5° |
H18 | C | H19 | 109.5° | 109.5° |
H18 | C | H20 | 109.5° | 109.5° |
H19 | C | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C1 | C2 | O | 116.9° | 120.0° |
C | C1 | C2 | H14 | 123.2° | 119.9° |
C | C1 | O | H14 | 119.7° | 119.9° |
C | C1 | O | C3 | 81.0° | 150.0° |
C | C1 | C2 | H15 | 180.0° | 60.1° |
C | C1 | C2 | H16 | 60.0° | 60.0° |
C | C1 | C2 | H17 | 60.0° | 180.0° |
C1 | C | H18 | H19 | 120.0° | 120.0° |
C1 | C | H18 | H20 | 120.0° | 120.0° |
C1 | C | H19 | H20 | 120.0° | 120.1° |
C2 | C1 | O | H14 | 119.7° | 120.1° |
C2 | C1 | O | C3 | 158.4° | 90.0° |
C1 | C2 | H15 | H16 | 120.0° | 120.1° |
C1 | C2 | H15 | H17 | 120.0° | 120.0° |
C1 | C2 | H16 | H17 | 119.9° | 120.0° |
C2 | C1 | C | H18 | 180.0° | 60.0° |
C2 | C1 | C | H19 | 60.0° | 180.0° |
C2 | C1 | C | H20 | 60.0° | 59.9° |
C1 | O | C3 | O3 | 12.0° | 0.0° |
C1 | O | C3 | N | 167.5° | 180.0° |
O | C1 | C2 | H15 | 63.1° | 60.0° |
O | C1 | C2 | H16 | 57.0° | 180.0° |
O | C1 | C2 | H17 | 176.9° | 60.0° |
O | C1 | C | H18 | 63.5° | 60.0° |
O | C1 | C | H19 | 176.5° | 60.0° |
O | C1 | C | H20 | 56.5° | 180.0° |
O3 | C3 | O | N | 179.5° | 180.0° |
O3 | C3 | N | C4 | 171.9° | 0.1° |
O3 | C3 | N | H21 | 8.1° | 180.0° |
O | C3 | N | C4 | 8.6° | 180.0° |
C3 | O | C1 | H14 | 38.7° | 30.1° |
O | C3 | N | H21 | 171.5° | 0.0° |
C3 | N | C4 | H21 | 180.0° | 179.9° |
C3 | N | C4 | C5 | 153.9° | 155.0° |
C3 | N | C4 | C15 | 81.3° | 84.0° |
C3 | N | C4 | H1 | 36.3° | 35.6° |
N | C4 | C5 | C15 | 128.3° | 120.3° |
N | C4 | C5 | H1 | 117.9° | 119.4° |
N | C4 | C15 | H1 | 118.0° | 119.5° |
N | C4 | C5 | C6 | 176.4° | 171.7° |
N | C4 | C15 | C14 | 1.9° | 39.2° |
N | C4 | C15 | C10 | 174.2° | 140.8° |
N | C4 | C5 | H2 | 63.0° | 51.8° |
N | C4 | C5 | H3 | 55.8° | 68.5° |
C5 | C4 | C15 | H1 | 113.7° | 120.2° |
C4 | C5 | C6 | H2 | 120.6° | 119.8° |
C4 | C5 | C6 | H3 | 120.6° | 119.8° |
C5 | C4 | C15 | C14 | 130.1° | 159.5° |
C5 | C4 | C15 | C10 | 45.9° | 20.5° |
C4 | C5 | C6 | N1 | 20.8° | 63.3° |
C4 | C5 | C6 | C7 | 147.0° | 177.1° |
C4 | C5 | H2 | H3 | 118.0° | 120.2° |
C4 | C5 | C6 | H4 | 96.6° | 56.3° |
C5 | C4 | N | H21 | 26.1° | 25.0° |
C15 | C4 | C5 | C6 | 55.3° | 51.4° |
C4 | C15 | C14 | C10 | 176.0° | 180.0° |
C4 | C15 | C14 | C13 | 175.7° | 179.8° |
C4 | C15 | C10 | N1 | 0.3° | 0.3° |
C4 | C15 | C10 | C11 | 177.6° | 179.7° |
C15 | C4 | C5 | H2 | 65.3° | 68.4° |
C15 | C4 | C5 | H3 | 175.9° | 171.3° |
C4 | C15 | C14 | H13 | 4.3° | 0.1° |
C15 | C4 | N | H21 | 98.7° | 95.9° |
C5 | C6 | N1 | C7 | 126.2° | 119.6° |
C5 | C6 | N1 | H4 | 117.0° | 119.5° |
C5 | C6 | C7 | H4 | 116.2° | 120.8° |
C5 | C6 | N1 | C10 | 27.5° | 44.6° |
C5 | C6 | N1 | C8 | 149.8° | 135.3° |
C6 | C5 | C4 | H1 | 58.5° | 68.9° |
C6 | C5 | H2 | H3 | 118.0° | 120.4° |
C5 | C6 | C7 | H5 | 180.0° | 50.1° |
C5 | C6 | C7 | H6 | 60.0° | 170.1° |
C5 | C6 | C7 | H7 | 60.0° | 69.9° |
C15 | C14 | C13 | H13 | 180.0° | 179.9° |
C14 | C15 | C10 | N1 | 175.9° | 179.8° |
C14 | C15 | C10 | C11 | 1.4° | 0.3° |
C15 | C14 | C13 | C16 | 176.9° | 180.0° |
C15 | C14 | C13 | C12 | 1.9° | 0.0° |
C14 | C15 | C4 | H1 | 116.1° | 80.3° |
C10 | C15 | C14 | C13 | 0.3° | 0.2° |
C15 | C10 | N1 | C6 | 39.4° | 13.3° |
C15 | C10 | N1 | C11 | 177.3° | 180.0° |
C15 | C10 | N1 | C8 | 137.6° | 166.6° |
C15 | C10 | C11 | C12 | 1.4° | 0.2° |
C10 | C15 | C4 | H1 | 67.8° | 99.7° |
C15 | C10 | C11 | H11 | 178.6° | 179.9° |
C10 | C15 | C14 | H13 | 179.7° | 179.9° |
C14 | C13 | C16 | C17 | 1.5° | 179.6° |
C14 | C13 | C16 | C12 | 178.8° | 179.9° |
C14 | C13 | C16 | O2 | 175.1° | 0.0° |
C14 | C13 | C12 | C11 | 1.9° | 0.0° |
C14 | C13 | C12 | H12 | 178.1° | 180.0° |
N1 | C6 | C7 | H4 | 117.0° | 120.9° |
C6 | N1 | C10 | C8 | 177.0° | 180.0° |
C6 | N1 | C10 | C11 | 137.9° | 166.6° |
C6 | N1 | C8 | O1 | 3.6° | 19.6° |
C6 | N1 | C8 | C9 | 176.0° | 160.5° |
N1 | C6 | C5 | H2 | 99.9° | 56.5° |
N1 | C6 | C5 | H3 | 141.4° | 176.9° |
N1 | C6 | C7 | H5 | 53.2° | 168.5° |
N1 | C6 | C7 | H6 | 66.9° | 71.5° |
N1 | C6 | C7 | H7 | 173.2° | 48.4° |
C7 | C6 | N1 | C10 | 98.7° | 164.2° |
C7 | C6 | N1 | C8 | 84.0° | 15.8° |
C7 | C6 | C5 | H2 | 26.4° | 63.1° |
C7 | C6 | C5 | H3 | 92.3° | 57.3° |
C6 | C7 | H5 | H6 | 120.0° | 120.0° |
C6 | C7 | H5 | H7 | 120.0° | 120.1° |
C6 | C7 | H6 | H7 | 119.9° | 120.0° |
C18 | C17 | C16 | H24 | 180.0° | 179.5° |
C17 | C18 | C19 | H23 | 180.0° | 179.7° |
C18 | C17 | C16 | C13 | 176.7° | 179.8° |
C18 | C17 | C16 | O2 | 0.1° | 0.5° |
C17 | C18 | C19 | O2 | 0.2° | 0.3° |
C17 | C18 | C19 | H22 | 179.8° | 179.8° |
C16 | C17 | C18 | C19 | 0.1° | 0.5° |
C17 | C16 | C13 | O2 | 176.6° | 179.7° |
C17 | C16 | C13 | C12 | 177.2° | 0.3° |
C17 | C16 | O2 | C19 | 0.2° | 0.3° |
C16 | C17 | C18 | H23 | 179.9° | 179.8° |
C10 | N1 | C8 | O1 | 179.3° | 160.5° |
C10 | N1 | C8 | C9 | 1.1° | 19.5° |
N1 | C10 | C11 | C12 | 175.7° | 179.8° |
C10 | N1 | C6 | H4 | 144.5° | 74.9° |
N1 | C10 | C11 | H11 | 4.3° | 0.1° |
C8 | N1 | C10 | C11 | 45.1° | 13.4° |
N1 | C8 | O1 | C9 | 179.6° | 180.0° |
C8 | N1 | C6 | H4 | 32.8° | 105.1° |
N1 | C8 | C9 | H8 | 179.6° | 7.0° |
N1 | C8 | C9 | H9 | 59.6° | 127.0° |
N1 | C8 | C9 | H10 | 60.4° | 113.0° |
C10 | C11 | C12 | C13 | 0.2° | 0.1° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C11 | C12 | H12 | 179.8° | 179.9° |
O1 | C8 | C9 | H8 | 0.0° | 173.0° |
O1 | C8 | C9 | H9 | 120.0° | 53.1° |
O1 | C8 | C9 | H10 | 120.0° | 67.0° |
C8 | C9 | H8 | H9 | 120.0° | 120.0° |
C8 | C9 | H8 | H10 | 120.0° | 120.0° |
C8 | C9 | H9 | H10 | 120.0° | 120.0° |
C18 | C19 | O2 | C16 | 0.2° | 0.0° |
C18 | C19 | O2 | H22 | 180.0° | 179.9° |
C19 | C18 | C17 | H24 | 179.9° | 180.0° |
C16 | C13 | C12 | C11 | 176.9° | 179.9° |
C13 | C16 | O2 | C19 | 177.2° | 180.0° |
C16 | C13 | C12 | H12 | 3.1° | 0.1° |
C16 | C13 | C14 | H13 | 3.1° | 0.1° |
C13 | C16 | C17 | H24 | 3.3° | 0.3° |
C12 | C13 | C16 | O2 | 6.2° | 180.0° |
C13 | C12 | C11 | H12 | 180.0° | 180.0° |
C13 | C12 | C11 | H11 | 179.8° | 180.0° |
C12 | C13 | C14 | H13 | 178.1° | 180.0° |
C16 | O2 | C19 | H22 | 179.8° | 179.9° |
O2 | C16 | C17 | H24 | 180.0° | 179.9° |
O2 | C19 | C18 | H23 | 179.8° | 180.0° |
H1 | C4 | C5 | H2 | 179.1° | 171.3° |
H1 | C4 | C5 | H3 | 62.1° | 51.0° |
H1 | C4 | N | H21 | 143.7° | 144.5° |
H2 | C5 | C6 | H4 | 142.8° | 176.1° |
H3 | C5 | C6 | H4 | 24.0° | 63.5° |
H4 | C6 | C7 | H5 | 63.8° | 70.7° |
H4 | C6 | C7 | H6 | 176.2° | 49.3° |
H4 | C6 | C7 | H7 | 56.2° | 169.3° |
H5 | C7 | H6 | H7 | 120.0° | 120.0° |
H8 | C9 | H9 | H10 | 119.9° | 120.0° |
H11 | C11 | C12 | H12 | 0.2° | 0.0° |
H14 | C1 | C2 | H15 | 56.8° | 180.0° |
H14 | C1 | C2 | H16 | 176.8° | 60.0° |
H14 | C1 | C2 | H17 | 63.2° | 60.0° |
H14 | C1 | C | H18 | 56.6° | 180.0° |
H14 | C1 | C | H19 | 63.4° | 60.0° |
H14 | C1 | C | H20 | 176.6° | 60.0° |
H15 | C2 | H16 | H17 | 120.0° | 120.0° |
H18 | C | H19 | H20 | 120.0° | 120.0° |
H22 | C19 | C18 | H23 | 0.2° | 0.1° |
H23 | C18 | C17 | H24 | 0.1° | 0.3° |