V8O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | S4 | doub | 1.42Å | 1.46Å | |
C18 | C14 | sing | 1.51Å | 1.50Å | |
C21 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
C21 | C22 | sing | 1.36Å | 1.40Å | Aromatic |
C20 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.34Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.51Å | Aromatic |
C22 | C23 | doub | 1.41Å | 1.44Å | Aromatic |
C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
O6 | S4 | doub | 1.42Å | 1.48Å | |
C11 | C10 | sing | 1.38Å | 1.23Å | Aromatic |
C11 | C7 | doub | 1.34Å | 1.34Å | Aromatic |
C10 | C9 | doub | 1.35Å | 1.35Å | Aromatic |
C19 | C15 | sing | 1.48Å | 1.51Å | |
C19 | C24 | doub | 1.41Å | 1.48Å | Aromatic |
S4 | C7 | sing | 1.76Å | 1.71Å | |
S4 | N1 | sing | 1.66Å | 1.66Å | |
C7 | S8 | sing | 1.76Å | 1.80Å | Aromatic |
C15 | N16 | doub | 1.33Å | 1.36Å | Aromatic |
C9 | C12 | sing | 1.48Å | 1.49Å | |
C9 | S8 | sing | 1.76Å | 1.76Å | Aromatic |
C23 | C24 | sing | 1.42Å | 1.50Å | Aromatic |
C23 | N28 | sing | 1.34Å | 1.38Å | Aromatic |
C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
C24 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
N16 | C17 | sing | 1.31Å | 1.35Å | Aromatic |
N28 | C27 | doub | 1.31Å | 1.38Å | Aromatic |
C25 | C26 | doub | 1.37Å | 1.40Å | Aromatic |
C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
C11 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C18 | H6 | sing | 1.09Å | 1.10Å | |
C18 | H7 | sing | 1.09Å | 1.10Å | |
C18 | H8 | sing | 1.09Å | 1.10Å | |
C13 | H9 | sing | 1.08Å | 1.08Å | |
C25 | H10 | sing | 1.08Å | 1.08Å | |
C26 | H11 | sing | 1.08Å | 1.08Å | |
C27 | H12 | sing | 1.08Å | 1.08Å | |
C22 | H13 | sing | 1.08Å | 1.08Å | |
C21 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | S4 | O6 | 96.7° | 123.2° |
O5 | S4 | C7 | 91.0° | 106.4° |
O5 | S4 | N1 | 109.4° | 106.4° |
C18 | C14 | C13 | 111.5° | 120.3° |
C18 | C14 | C15 | 129.7° | 120.4° |
C14 | C18 | H6 | 109.5° | 109.5° |
C14 | C18 | H7 | 109.5° | 109.4° |
C14 | C18 | H8 | 109.5° | 109.5° |
C20 | C21 | C22 | 119.5° | 121.2° |
C21 | C20 | C19 | 123.1° | 120.6° |
C20 | C21 | H14 | 120.2° | 119.4° |
C21 | C20 | H15 | 118.5° | 119.7° |
C21 | C22 | C23 | 120.8° | 120.2° |
C21 | C22 | H13 | 119.6° | 119.9° |
C22 | C21 | H14 | 120.3° | 119.4° |
C20 | C19 | C15 | 121.0° | 120.4° |
C20 | C19 | C24 | 119.4° | 119.2° |
C19 | C20 | H15 | 118.5° | 119.7° |
C13 | C14 | C15 | 118.8° | 119.2° |
C14 | C13 | C12 | 121.5° | 118.4° |
C14 | C13 | H9 | 119.2° | 120.9° |
C14 | C15 | C19 | 122.1° | 119.6° |
C14 | C15 | N16 | 116.6° | 120.8° |
C22 | C23 | C24 | 121.4° | 119.3° |
C22 | C23 | N28 | 124.9° | 120.9° |
C23 | C22 | H13 | 119.6° | 119.9° |
C13 | C12 | C9 | 110.0° | 120.5° |
C13 | C12 | C17 | 119.4° | 119.1° |
C12 | C13 | H9 | 119.3° | 120.8° |
O6 | S4 | C7 | 106.2° | 106.4° |
O6 | S4 | N1 | 126.6° | 106.4° |
C10 | C11 | C7 | 115.5° | 115.0° |
C11 | C10 | C9 | 117.3° | 114.7° |
C10 | C11 | H3 | 122.2° | 122.4° |
C11 | C10 | H4 | 121.3° | 122.6° |
C11 | C7 | S4 | 104.2° | 125.1° |
C11 | C7 | S8 | 110.6° | 109.8° |
C7 | C11 | H3 | 122.2° | 122.5° |
C10 | C9 | C12 | 114.3° | 125.3° |
C10 | C9 | S8 | 110.8° | 109.5° |
C9 | C10 | H4 | 121.3° | 122.7° |
C15 | C19 | C24 | 119.5° | 120.4° |
C19 | C15 | N16 | 121.1° | 119.6° |
C19 | C24 | C23 | 115.7° | 119.6° |
C19 | C24 | C25 | 123.1° | 121.3° |
C7 | S4 | N1 | 118.6° | 107.2° |
S4 | C7 | S8 | 145.2° | 125.1° |
S4 | N1 | H1 | 109.5° | 120.0° |
S4 | N1 | H2 | 109.5° | 120.0° |
C7 | S8 | C9 | 85.7° | 91.0° |
C15 | N16 | C17 | 123.3° | 121.8° |
C12 | C9 | S8 | 134.9° | 125.3° |
C9 | C12 | C17 | 130.7° | 120.4° |
C24 | C23 | N28 | 113.6° | 119.8° |
C23 | C24 | C25 | 121.2° | 119.1° |
C23 | N28 | C27 | 124.3° | 121.3° |
C12 | C17 | N16 | 120.4° | 120.7° |
C12 | C17 | H5 | 119.8° | 119.6° |
C24 | C25 | C26 | 121.0° | 118.2° |
C24 | C25 | H10 | 119.5° | 120.9° |
N16 | C17 | H5 | 119.8° | 119.7° |
N28 | C27 | C26 | 123.0° | 121.7° |
N28 | C27 | H12 | 118.5° | 119.1° |
C25 | C26 | C27 | 116.9° | 119.9° |
C26 | C25 | H10 | 119.5° | 120.9° |
C25 | C26 | H11 | 121.6° | 120.1° |
C27 | C26 | H11 | 121.5° | 120.0° |
C26 | C27 | H12 | 118.5° | 119.2° |
H1 | N1 | H2 | 109.5° | 120.0° |
H6 | C18 | H7 | 109.5° | 109.4° |
H6 | C18 | H8 | 109.4° | 109.5° |
H7 | C18 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | S4 | O6 | C7 | 93.0° | 123.0° |
O5 | S4 | O6 | N1 | 120.3° | 123.0° |
O5 | S4 | C7 | C11 | 92.0° | 156.2° |
O5 | S4 | C7 | N1 | 112.8° | 113.5° |
O5 | S4 | C7 | S8 | 89.5° | 23.5° |
O5 | S4 | N1 | H1 | 180.0° | 113.5° |
O5 | S4 | N1 | H2 | 60.0° | 66.4° |
C18 | C14 | C13 | C15 | 178.4° | 179.4° |
C18 | C14 | C13 | C12 | 178.6° | 180.0° |
C18 | C14 | C15 | C19 | 2.2° | 0.3° |
C18 | C14 | C15 | N16 | 177.9° | 179.7° |
C14 | C18 | H6 | H7 | 120.0° | 120.0° |
C14 | C18 | H6 | H8 | 120.0° | 120.1° |
C14 | C18 | H7 | H8 | 120.0° | 120.0° |
C18 | C14 | C13 | H9 | 1.4° | 0.6° |
C20 | C21 | C22 | H14 | 180.0° | 179.4° |
C21 | C20 | C19 | H15 | 180.0° | 179.4° |
C20 | C21 | C22 | C23 | 0.0° | 0.4° |
C21 | C20 | C19 | C15 | 178.7° | 179.7° |
C21 | C20 | C19 | C24 | 2.3° | 0.5° |
C20 | C21 | C22 | H13 | 180.0° | 179.8° |
C22 | C21 | C20 | C19 | 1.7° | 0.6° |
C21 | C22 | C23 | H13 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 1.0° | 0.0° |
C21 | C22 | C23 | N28 | 178.7° | 180.0° |
C22 | C21 | C20 | H15 | 178.3° | 179.9° |
C20 | C19 | C15 | C14 | 119.8° | 53.1° |
C20 | C19 | C15 | C24 | 176.5° | 179.7° |
C20 | C19 | C15 | N16 | 55.7° | 126.9° |
C20 | C19 | C24 | C23 | 1.1° | 0.2° |
C20 | C19 | C24 | C25 | 177.6° | 179.7° |
C19 | C20 | C21 | H14 | 178.3° | 180.0° |
C14 | C13 | C12 | H9 | 180.0° | 179.4° |
C13 | C14 | C15 | C19 | 175.9° | 179.7° |
C13 | C14 | C15 | N16 | 0.2° | 0.3° |
C14 | C13 | C12 | C9 | 179.2° | 179.7° |
C14 | C13 | C12 | C17 | 0.8° | 0.6° |
C13 | C14 | C18 | H6 | 89.4° | 95.4° |
C13 | C14 | C18 | H7 | 150.6° | 144.6° |
C13 | C14 | C18 | H8 | 30.6° | 24.7° |
C15 | C14 | C13 | C12 | 0.1° | 0.6° |
C14 | C15 | C19 | N16 | 175.6° | 180.0° |
C14 | C15 | C19 | C24 | 56.6° | 126.7° |
C14 | C15 | N16 | C17 | 1.5° | 0.0° |
C15 | C14 | C18 | H6 | 88.8° | 85.2° |
C15 | C14 | C18 | H7 | 31.2° | 34.8° |
C15 | C14 | C18 | H8 | 151.2° | 154.8° |
C15 | C14 | C13 | H9 | 179.9° | 180.0° |
C22 | C23 | C24 | C19 | 0.5° | 0.0° |
C22 | C23 | C24 | N28 | 179.8° | 180.0° |
C22 | C23 | C24 | C25 | 179.2° | 180.0° |
C22 | C23 | N28 | C27 | 178.6° | 180.0° |
C23 | C22 | C21 | H14 | 180.0° | 179.8° |
C13 | C12 | C9 | C10 | 15.1° | 179.7° |
C13 | C12 | C9 | C17 | 178.2° | 179.7° |
C13 | C12 | C9 | S8 | 161.0° | 0.0° |
C13 | C12 | C17 | N16 | 2.0° | 0.3° |
C13 | C12 | C17 | H5 | 178.0° | 179.7° |
O6 | S4 | C7 | C11 | 5.3° | 23.2° |
O6 | S4 | C7 | N1 | 149.9° | 113.5° |
O6 | S4 | C7 | S8 | 173.2° | 156.4° |
O6 | S4 | N1 | H1 | 65.4° | 113.6° |
O6 | S4 | N1 | H2 | 174.6° | 66.5° |
C10 | C11 | C7 | H3 | 180.0° | 180.0° |
C11 | C10 | C9 | H4 | 180.0° | 179.9° |
C10 | C11 | C7 | S4 | 176.7° | 179.9° |
C10 | C11 | C7 | S8 | 2.4° | 0.3° |
C11 | C10 | C9 | C12 | 176.7° | 180.0° |
C11 | C10 | C9 | S8 | 0.3° | 0.3° |
C7 | C11 | C10 | C9 | 1.8° | 0.0° |
C11 | C7 | S4 | S8 | 178.5° | 179.6° |
C11 | C7 | S4 | N1 | 155.2° | 90.3° |
C11 | C7 | S8 | C9 | 1.7° | 0.4° |
C7 | C11 | C10 | H4 | 178.2° | 179.9° |
C10 | C9 | S8 | C7 | 0.8° | 0.4° |
C10 | C9 | C12 | S8 | 176.1° | 179.7° |
C10 | C9 | C12 | C17 | 163.1° | 0.0° |
C9 | C10 | C11 | H3 | 178.2° | 180.0° |
C15 | C19 | C24 | C23 | 177.6° | 180.0° |
C15 | C19 | C24 | C25 | 1.1° | 0.0° |
C19 | C15 | N16 | C17 | 177.3° | 180.0° |
C15 | C19 | C20 | H15 | 1.3° | 0.3° |
C24 | C19 | C15 | N16 | 127.8° | 53.4° |
C19 | C24 | C23 | C25 | 178.8° | 179.9° |
C19 | C24 | C23 | N28 | 179.3° | 180.0° |
C19 | C24 | C25 | C26 | 178.7° | 180.0° |
C19 | C24 | C25 | H10 | 1.3° | 0.1° |
C24 | C19 | C20 | H15 | 177.8° | 180.0° |
S4 | C7 | S8 | C9 | 176.8° | 180.0° |
C7 | S4 | N1 | H1 | 77.7° | 0.1° |
C7 | S4 | N1 | H2 | 42.3° | 180.0° |
S4 | C7 | C11 | H3 | 3.3° | 0.0° |
N1 | S4 | C7 | S8 | 23.3° | 90.1° |
S4 | N1 | H1 | H2 | 120.0° | 179.9° |
C7 | S8 | C9 | C12 | 177.0° | 179.9° |
S8 | C7 | C11 | H3 | 177.6° | 179.7° |
C15 | N16 | C17 | C12 | 2.4° | 0.0° |
C15 | N16 | C17 | H5 | 177.6° | 180.0° |
C9 | C12 | C17 | N16 | 179.9° | 180.0° |
C12 | C9 | C10 | H4 | 3.3° | 0.1° |
C9 | C12 | C17 | H5 | 0.1° | 0.0° |
C9 | C12 | C13 | H9 | 0.8° | 0.3° |
S8 | C9 | C12 | C17 | 20.8° | 179.7° |
S8 | C9 | C10 | H4 | 179.7° | 179.8° |
C24 | C23 | N28 | C27 | 1.1° | 0.0° |
C23 | C24 | C25 | C26 | 0.0° | 0.0° |
C23 | C24 | C25 | H10 | 180.0° | 180.0° |
C24 | C23 | C22 | H13 | 179.0° | 179.9° |
N28 | C23 | C24 | C25 | 0.5° | 0.0° |
C23 | N28 | C27 | C26 | 1.2° | 0.0° |
C23 | N28 | C27 | H12 | 178.8° | 180.0° |
N28 | C23 | C22 | H13 | 1.3° | 0.1° |
C12 | C17 | N16 | H5 | 180.0° | 180.0° |
C17 | C12 | C13 | H9 | 179.2° | 180.0° |
C24 | C25 | C26 | H10 | 180.0° | 179.9° |
C24 | C25 | C26 | C27 | 0.1° | 0.0° |
C24 | C25 | C26 | H11 | 179.9° | 180.0° |
N28 | C27 | C26 | C25 | 0.5° | 0.0° |
N28 | C27 | C26 | H12 | 180.0° | 180.0° |
N28 | C27 | C26 | H11 | 179.5° | 180.0° |
C25 | C26 | C27 | H11 | 180.0° | 180.0° |
C25 | C26 | C27 | H12 | 179.5° | 180.0° |
C27 | C26 | C25 | H10 | 179.9° | 179.9° |
H3 | C11 | C10 | H4 | 1.8° | 0.1° |
H6 | C18 | H7 | H8 | 120.0° | 120.0° |
H10 | C25 | C26 | H11 | 0.1° | 0.0° |
H11 | C26 | C27 | H12 | 0.5° | 0.0° |
H13 | C22 | C21 | H14 | 0.0° | 0.4° |
H14 | C21 | C20 | H15 | 1.7° | 0.5° |