O7F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | S | doub | 1.42Å | 1.43Å | |
N | S | sing | 1.66Å | 1.65Å | |
N | C | sing | 1.47Å | 1.47Å | |
C | C1 | sing | 1.53Å | 1.53Å | |
C1 | N1 | sing | 1.47Å | 1.48Å | |
S1 | N1 | sing | 1.66Å | 1.65Å | |
O1 | S1 | doub | 1.42Å | 1.43Å | |
C2 | S1 | sing | 1.76Å | 1.76Å | |
C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
N2 | C4 | sing | 1.40Å | 1.37Å | |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
O2 | S1 | doub | 1.42Å | 1.43Å | |
N1 | C8 | sing | 1.47Å | 1.48Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C9 | N | sing | 1.47Å | 1.48Å | |
C10 | S | sing | 1.76Å | 1.76Å | |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
O3 | C12 | sing | 1.36Å | 1.36Å | |
C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
O4 | C13 | sing | 1.36Å | 1.36Å | |
C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
S | O5 | doub | 1.42Å | 1.43Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.08Å | 1.08Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C5 | H7 | sing | 1.08Å | 1.08Å | |
C3 | H4 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H18 | sing | 1.08Å | 1.08Å | |
C14 | H17 | sing | 1.08Å | 1.08Å | |
O4 | H16 | sing | 0.97Å | 0.95Å | |
O3 | H15 | sing | 0.97Å | 0.95Å | |
C11 | H14 | sing | 1.08Å | 1.08Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C | H | sing | 1.09Å | 1.10Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
N2 | H6 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | S | N | 106.3° | 106.4° |
O | S | C10 | 107.5° | 106.4° |
O | S | O5 | 119.5° | 123.2° |
S | N | C | 120.7° | 120.6° |
S | N | C9 | 120.2° | 120.6° |
N | S | C10 | 108.8° | 107.2° |
N | S | O5 | 106.8° | 106.4° |
N | C | C1 | 108.9° | 108.7° |
C | N | C9 | 112.0° | 118.8° |
N | C | H | 109.6° | 109.6° |
N | C | H1 | 109.6° | 109.6° |
C | C1 | N1 | 109.0° | 108.6° |
C | C1 | H2 | 109.6° | 109.6° |
C | C1 | H3 | 109.6° | 109.8° |
C1 | C | H | 109.6° | 109.6° |
C1 | C | H1 | 109.6° | 109.6° |
C1 | N1 | S1 | 119.7° | 120.6° |
C1 | N1 | C8 | 111.8° | 118.8° |
N1 | C1 | H2 | 109.6° | 109.6° |
N1 | C1 | H3 | 109.6° | 109.6° |
N1 | S1 | O1 | 106.6° | 106.4° |
N1 | S1 | C2 | 108.5° | 107.2° |
N1 | S1 | O2 | 106.7° | 106.4° |
S1 | N1 | C8 | 119.8° | 120.6° |
O1 | S1 | C2 | 107.6° | 106.4° |
O1 | S1 | O2 | 119.5° | 123.1° |
S1 | C2 | C3 | 119.1° | 120.0° |
S1 | C2 | C7 | 119.9° | 120.0° |
C2 | S1 | O2 | 107.6° | 106.4° |
C2 | C3 | C4 | 120.0° | 119.9° |
C3 | C2 | C7 | 121.0° | 120.1° |
C2 | C3 | H4 | 120.0° | 120.0° |
C3 | C4 | N2 | 120.2° | 120.1° |
C3 | C4 | C5 | 119.0° | 119.9° |
C4 | C3 | H4 | 120.0° | 120.0° |
N2 | C4 | C5 | 120.7° | 120.0° |
C4 | N2 | H5 | 109.5° | 120.1° |
C4 | N2 | H6 | 109.5° | 120.0° |
C4 | C5 | C6 | 120.4° | 119.9° |
C4 | C5 | H7 | 119.8° | 120.1° |
C5 | C6 | C7 | 120.5° | 120.0° |
C5 | C6 | H8 | 119.7° | 120.0° |
C6 | C5 | H7 | 119.8° | 120.0° |
C6 | C7 | C2 | 119.1° | 120.2° |
C6 | C7 | H9 | 120.5° | 119.9° |
C7 | C6 | H8 | 119.7° | 119.9° |
C2 | C7 | H9 | 120.5° | 119.9° |
N1 | C8 | C9 | 109.5° | 108.7° |
N1 | C8 | H10 | 109.4° | 109.6° |
N1 | C8 | H11 | 109.4° | 109.8° |
C8 | C9 | N | 109.5° | 108.7° |
C9 | C8 | H10 | 109.5° | 109.6° |
C9 | C8 | H11 | 109.5° | 109.6° |
C8 | C9 | H12 | 109.5° | 109.6° |
C8 | C9 | H13 | 109.5° | 109.6° |
N | C9 | H12 | 109.5° | 109.6° |
N | C9 | H13 | 109.5° | 109.6° |
S | C10 | C11 | 119.2° | 119.9° |
S | C10 | C15 | 119.8° | 119.9° |
C10 | S | O5 | 107.5° | 106.4° |
C10 | C11 | C12 | 119.4° | 120.0° |
C11 | C10 | C15 | 121.0° | 120.1° |
C10 | C11 | H14 | 120.3° | 120.0° |
C11 | C12 | O3 | 119.2° | 120.1° |
C11 | C12 | C13 | 120.0° | 119.9° |
C12 | C11 | H14 | 120.3° | 120.0° |
O3 | C12 | C13 | 120.8° | 120.0° |
C12 | O3 | H15 | 109.5° | 114.0° |
C12 | C13 | O4 | 120.9° | 120.1° |
C12 | C13 | C14 | 119.6° | 119.8° |
O4 | C13 | C14 | 119.6° | 120.1° |
C13 | O4 | H16 | 109.5° | 114.0° |
C13 | C14 | C15 | 120.5° | 120.0° |
C13 | C14 | H17 | 119.8° | 120.0° |
C14 | C15 | C10 | 119.5° | 120.2° |
C14 | C15 | H18 | 120.3° | 119.9° |
C15 | C14 | H17 | 119.8° | 120.0° |
C10 | C15 | H18 | 120.3° | 119.9° |
H10 | C8 | H11 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.6° |
H12 | C9 | H13 | 109.5° | 109.7° |
H | C | H1 | 109.5° | 109.7° |
H5 | N2 | H6 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | S | N | C10 | 115.6° | 113.5° |
O | S | N | O5 | 128.7° | 132.9° |
O | S | N | C | 156.6° | 156.4° |
O | S | N | C9 | 55.0° | 23.5° |
O | S | C10 | O5 | 129.9° | 133.0° |
O | S | C10 | C11 | 155.7° | 23.5° |
O | S | C10 | C15 | 23.2° | 156.8° |
S | N | C | C9 | 150.8° | 179.9° |
S | N | C | C1 | 149.8° | 124.8° |
S | N | C9 | C8 | 150.9° | 124.8° |
N | S | C10 | O5 | 115.3° | 113.5° |
N | S | C10 | C11 | 89.5° | 90.0° |
N | S | C10 | C15 | 91.6° | 89.7° |
S | N | C9 | H12 | 89.2° | 115.5° |
S | N | C9 | H13 | 30.8° | 5.0° |
S | N | C | H | 90.3° | 5.0° |
S | N | C | H1 | 29.8° | 115.5° |
N | C | C1 | H | 119.9° | 119.8° |
N | C | C1 | H1 | 119.9° | 119.8° |
N | C | C1 | N1 | 58.5° | 49.4° |
C | N | C9 | C8 | 58.2° | 55.2° |
C | N | S | C10 | 87.9° | 90.0° |
C | N | S | O5 | 27.9° | 23.5° |
N | C | C1 | H2 | 178.4° | 70.3° |
N | C | C1 | H3 | 61.4° | 169.2° |
C | N | C9 | H12 | 61.8° | 64.6° |
C | N | C9 | H13 | 178.2° | 175.0° |
N | C | H | H1 | 120.3° | 120.4° |
C | C1 | N1 | H2 | 119.9° | 119.7° |
C | C1 | N1 | H3 | 119.9° | 119.9° |
C | C1 | N1 | S1 | 152.8° | 124.8° |
C | C1 | N1 | C8 | 59.6° | 55.2° |
C1 | C | N | C9 | 59.5° | 55.2° |
C | C1 | H2 | H3 | 120.2° | 120.5° |
C1 | C | H | H1 | 120.2° | 120.4° |
C1 | N1 | S1 | C8 | 145.1° | 180.0° |
C1 | N1 | S1 | O1 | 165.1° | 23.6° |
C1 | N1 | S1 | C2 | 79.3° | 90.0° |
C1 | N1 | S1 | O2 | 36.3° | 156.4° |
C1 | N1 | C8 | C9 | 58.3° | 55.2° |
C1 | N1 | C8 | H10 | 178.3° | 64.6° |
C1 | N1 | C8 | H11 | 61.7° | 175.0° |
N1 | C1 | H2 | H3 | 120.2° | 120.3° |
N1 | C1 | C | H | 61.4° | 169.2° |
N1 | C1 | C | H1 | 178.4° | 70.4° |
N1 | S1 | O1 | C2 | 116.2° | 114.1° |
N1 | S1 | O1 | O2 | 120.9° | 122.9° |
N1 | S1 | C2 | O2 | 115.1° | 113.6° |
N1 | S1 | C2 | C3 | 88.6° | 90.3° |
N1 | S1 | C2 | C7 | 94.1° | 90.0° |
S1 | N1 | C8 | C9 | 154.1° | 124.8° |
S1 | N1 | C8 | H10 | 34.1° | 115.4° |
S1 | N1 | C8 | H11 | 85.9° | 5.0° |
S1 | N1 | C1 | H2 | 32.8° | 115.5° |
S1 | N1 | C1 | H3 | 87.3° | 4.9° |
O1 | S1 | C2 | O2 | 129.9° | 132.9° |
O1 | S1 | C2 | C3 | 156.4° | 23.3° |
O1 | S1 | C2 | C7 | 20.9° | 156.5° |
O1 | S1 | N1 | C8 | 49.8° | 156.5° |
S1 | C2 | C3 | C7 | 177.2° | 179.7° |
S1 | C2 | C3 | C4 | 176.8° | 179.7° |
S1 | C2 | C7 | C6 | 177.2° | 179.7° |
C2 | S1 | N1 | C8 | 65.8° | 90.0° |
S1 | C2 | C7 | H9 | 2.8° | 0.0° |
S1 | C2 | C3 | H4 | 3.2° | 0.3° |
C2 | C3 | C4 | H4 | 180.0° | 180.0° |
C2 | C3 | C4 | N2 | 176.2° | 180.0° |
C2 | C3 | C4 | C5 | 1.0° | 0.0° |
C3 | C2 | C7 | C6 | 0.0° | 0.0° |
C3 | C2 | S1 | O2 | 26.4° | 156.2° |
C3 | C2 | C7 | H9 | 180.0° | 179.7° |
C3 | C4 | N2 | C5 | 177.2° | 180.0° |
C3 | C4 | C5 | C6 | 1.2° | 0.0° |
C4 | C3 | C2 | C7 | 0.4° | 0.0° |
C3 | C4 | C5 | H7 | 178.8° | 179.9° |
C3 | C4 | N2 | H5 | 180.0° | 180.0° |
C3 | C4 | N2 | H6 | 60.0° | 0.0° |
N2 | C4 | C5 | C6 | 176.0° | 180.0° |
N2 | C4 | C5 | H7 | 4.0° | 0.0° |
N2 | C4 | C3 | H4 | 3.9° | 0.0° |
C4 | N2 | H5 | H6 | 120.0° | 180.0° |
C4 | C5 | C6 | H7 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.8° | 0.0° |
C4 | C5 | C6 | H8 | 179.2° | 180.0° |
C5 | C4 | C3 | H4 | 178.9° | 180.0° |
C5 | C4 | N2 | H5 | 2.9° | 0.0° |
C5 | C4 | N2 | H6 | 117.1° | 180.0° |
C5 | C6 | C7 | H8 | 180.0° | 180.0° |
C5 | C6 | C7 | C2 | 0.2° | 0.0° |
C5 | C6 | C7 | H9 | 179.7° | 179.7° |
C6 | C7 | C2 | H9 | 180.0° | 179.7° |
C7 | C6 | C5 | H7 | 179.2° | 179.9° |
C7 | C2 | S1 | O2 | 150.9° | 23.6° |
C2 | C7 | C6 | H8 | 179.8° | 180.0° |
C7 | C2 | C3 | H4 | 179.5° | 179.9° |
O2 | S1 | N1 | C8 | 178.6° | 23.6° |
N1 | C8 | C9 | H10 | 120.0° | 119.8° |
N1 | C8 | C9 | H11 | 120.0° | 119.9° |
N1 | C8 | C9 | N | 56.0° | 49.4° |
N1 | C8 | H10 | H11 | 119.9° | 120.5° |
C8 | N1 | C1 | H2 | 179.5° | 64.5° |
C8 | N1 | C1 | H3 | 60.3° | 175.1° |
N1 | C8 | C9 | H12 | 64.0° | 70.3° |
N1 | C8 | C9 | H13 | 176.0° | 169.2° |
C8 | C9 | N | H12 | 120.0° | 119.7° |
C8 | C9 | N | H13 | 120.0° | 119.8° |
C9 | C8 | H10 | H11 | 120.0° | 120.3° |
C8 | C9 | H12 | H13 | 120.0° | 120.4° |
C9 | N | S | C10 | 60.6° | 90.0° |
C9 | N | S | O5 | 176.3° | 156.4° |
N | C9 | C8 | H10 | 176.0° | 70.4° |
N | C9 | C8 | H11 | 64.0° | 169.4° |
N | C9 | H12 | H13 | 120.0° | 120.4° |
C9 | N | C | H | 60.5° | 174.9° |
C9 | N | C | H1 | 179.4° | 64.6° |
S | C10 | C11 | C15 | 178.9° | 179.7° |
S | C10 | C11 | C12 | 179.1° | 179.7° |
S | C10 | C15 | C14 | 179.9° | 180.0° |
S | C10 | C15 | H18 | 0.1° | 0.0° |
S | C10 | C11 | H14 | 0.9° | 0.0° |
C10 | C11 | C12 | H14 | 180.0° | 179.7° |
C10 | C11 | C12 | O3 | 177.1° | 179.8° |
C10 | C11 | C12 | C13 | 1.4° | 0.5° |
C11 | C10 | C15 | C14 | 1.0° | 0.3° |
C11 | C10 | S | O5 | 25.7° | 156.5° |
C11 | C10 | C15 | H18 | 179.0° | 179.8° |
C11 | C12 | O3 | C13 | 178.5° | 179.7° |
C11 | C12 | C13 | O4 | 179.1° | 179.7° |
C11 | C12 | C13 | C14 | 0.2° | 0.3° |
C12 | C11 | C10 | C15 | 2.0° | 0.5° |
C11 | C12 | O3 | H15 | 180.0° | 89.7° |
O3 | C12 | C13 | O4 | 0.6° | 0.0° |
O3 | C12 | C13 | C14 | 178.7° | 180.0° |
O3 | C12 | C11 | H14 | 2.9° | 0.1° |
C12 | C13 | O4 | C14 | 179.3° | 180.0° |
C12 | C13 | C14 | C15 | 1.2° | 0.1° |
C12 | C13 | C14 | H17 | 178.8° | 180.0° |
C12 | C13 | O4 | H16 | 180.0° | 90.0° |
C13 | C12 | O3 | H15 | 1.5° | 90.0° |
C13 | C12 | C11 | H14 | 178.6° | 179.8° |
O4 | C13 | C14 | C15 | 178.1° | 179.9° |
O4 | C13 | C14 | H17 | 1.9° | 0.0° |
C13 | C14 | C15 | H17 | 180.0° | 180.0° |
C13 | C14 | C15 | C10 | 0.6° | 0.1° |
C13 | C14 | C15 | H18 | 179.4° | 180.0° |
C14 | C13 | O4 | H16 | 0.7° | 90.0° |
C14 | C15 | C10 | H18 | 180.0° | 179.9° |
C15 | C10 | S | O5 | 153.1° | 23.8° |
C10 | C15 | C14 | H17 | 179.4° | 180.0° |
C15 | C10 | C11 | H14 | 178.0° | 179.8° |
H10 | C8 | C9 | H12 | 56.0° | 169.9° |
H10 | C8 | C9 | H13 | 64.0° | 49.4° |
H11 | C8 | C9 | H12 | 176.0° | 49.6° |
H11 | C8 | C9 | H13 | 56.0° | 70.8° |
H9 | C7 | C6 | H8 | 0.3° | 0.3° |
H8 | C6 | C5 | H7 | 0.9° | 0.1° |
H2 | C1 | C | H | 58.5° | 49.5° |
H2 | C1 | C | H1 | 61.6° | 169.9° |
H3 | C1 | C | H | 178.6° | 71.0° |
H3 | C1 | C | H1 | 58.5° | 49.5° |
H18 | C15 | C14 | H17 | 0.6° | 0.0° |