F6W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | S1 | sing | 1.81Å | 1.75Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
S1 | C5 | sing | 1.76Å | 1.69Å | |
C8 | C7 | sing | 1.51Å | 1.49Å | |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C | sing | 1.38Å | 1.41Å | Aromatic |
C | S | sing | 1.76Å | 1.63Å | |
N | S | sing | 1.66Å | 1.64Å | |
O1 | S | doub | 1.42Å | 1.42Å | |
S | O | doub | 1.42Å | 1.43Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
N | H8 | sing | 0.97Å | 1.00Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.08Å | 1.08Å | |
C10 | H14 | sing | 1.08Å | 1.08Å | |
C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | C11 | 121.1° | 120.0° |
C12 | C13 | C8 | 117.9° | 120.0° |
C12 | C13 | H12 | 121.0° | 120.0° |
C13 | C12 | H13 | 119.5° | 120.0° |
C12 | C11 | C10 | 120.3° | 120.0° |
C12 | C11 | H7 | 119.9° | 120.0° |
C11 | C12 | H13 | 119.5° | 120.0° |
C13 | C8 | C7 | 119.7° | 120.0° |
C13 | C8 | C9 | 121.5° | 120.1° |
C8 | C13 | H12 | 121.0° | 120.0° |
C11 | C10 | C9 | 119.5° | 120.0° |
C10 | C11 | H7 | 119.9° | 120.0° |
C11 | C10 | H14 | 120.2° | 120.0° |
S1 | C6 | C7 | 108.0° | 109.4° |
C6 | S1 | C5 | 108.8° | 103.0° |
S1 | C6 | H5 | 109.8° | 109.5° |
S1 | C6 | H6 | 109.9° | 109.5° |
C6 | C7 | C8 | 109.8° | 109.4° |
C7 | C6 | H5 | 109.8° | 109.4° |
C7 | C6 | H6 | 109.8° | 109.5° |
C6 | C7 | H10 | 109.4° | 109.4° |
C6 | C7 | H11 | 109.4° | 109.5° |
S1 | C5 | C2 | 118.5° | 120.1° |
S1 | C5 | C4 | 122.1° | 120.1° |
C7 | C8 | C9 | 118.8° | 120.0° |
C8 | C7 | H10 | 109.4° | 109.5° |
C8 | C7 | H11 | 109.4° | 109.5° |
C8 | C9 | C10 | 119.7° | 120.0° |
C8 | C9 | H15 | 120.1° | 120.1° |
C2 | C5 | C4 | 119.4° | 119.9° |
C5 | C2 | C1 | 120.5° | 119.9° |
C5 | C2 | H2 | 119.8° | 120.1° |
C5 | C4 | C3 | 119.2° | 119.9° |
C5 | C4 | H4 | 120.4° | 120.1° |
C9 | C10 | H14 | 120.3° | 120.0° |
C10 | C9 | H15 | 120.1° | 120.0° |
C2 | C1 | C | 121.8° | 120.1° |
C2 | C1 | H1 | 119.1° | 119.9° |
C1 | C2 | H2 | 119.7° | 120.0° |
C4 | C3 | C | 123.1° | 120.1° |
C4 | C3 | H3 | 118.4° | 120.0° |
C3 | C4 | H4 | 120.4° | 120.0° |
C1 | C | C3 | 116.0° | 120.2° |
C1 | C | S | 121.5° | 119.9° |
C | C1 | H1 | 119.1° | 120.0° |
C3 | C | S | 122.4° | 119.9° |
C | C3 | H3 | 118.5° | 120.0° |
C | S | N | 112.0° | 107.2° |
C | S | O1 | 108.1° | 106.4° |
C | S | O | 109.2° | 106.4° |
N | S | O1 | 107.2° | 106.4° |
N | S | O | 108.7° | 106.4° |
S | N | H8 | 109.5° | 120.0° |
S | N | H9 | 109.4° | 120.0° |
O1 | S | O | 111.6° | 123.2° |
H5 | C6 | H6 | 109.5° | 109.5° |
H8 | N | H9 | 109.5° | 120.0° |
H10 | C7 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | H13 | 180.0° | 180.0° |
C12 | C13 | C8 | H12 | 180.0° | 179.8° |
C13 | C12 | C11 | C10 | 0.9° | 0.1° |
C12 | C13 | C8 | C7 | 178.5° | 179.8° |
C12 | C13 | C8 | C9 | 0.7° | 0.8° |
C13 | C12 | C11 | H7 | 179.1° | 179.7° |
C11 | C12 | C13 | C8 | 1.0° | 0.5° |
C12 | C11 | C10 | H7 | 180.0° | 179.7° |
C12 | C11 | C10 | C9 | 0.5° | 0.3° |
C11 | C12 | C13 | H12 | 179.0° | 179.7° |
C12 | C11 | C10 | H14 | 179.5° | 179.7° |
C13 | C8 | C7 | C6 | 2.4° | 90.6° |
C13 | C8 | C7 | C9 | 179.3° | 179.5° |
C13 | C8 | C9 | C10 | 0.4° | 0.5° |
C13 | C8 | C7 | H10 | 122.4° | 149.5° |
C13 | C8 | C7 | H11 | 117.7° | 29.5° |
C8 | C13 | C12 | H13 | 179.0° | 179.5° |
C13 | C8 | C9 | H15 | 179.6° | 179.9° |
C11 | C10 | C9 | C8 | 0.2° | 0.0° |
C11 | C10 | C9 | H14 | 180.0° | 180.0° |
C10 | C11 | C12 | H13 | 179.1° | 179.9° |
C11 | C10 | C9 | H15 | 179.8° | 179.4° |
S1 | C6 | C7 | H5 | 119.8° | 120.0° |
S1 | C6 | C7 | H6 | 119.8° | 120.0° |
S1 | C6 | C7 | C8 | 85.6° | 180.0° |
C6 | S1 | C5 | C2 | 13.3° | 180.0° |
C6 | S1 | C5 | C4 | 168.7° | 0.0° |
S1 | C6 | H5 | H6 | 120.7° | 120.0° |
S1 | C6 | C7 | H10 | 34.5° | 60.0° |
S1 | C6 | C7 | H11 | 154.4° | 60.0° |
C7 | C6 | S1 | C5 | 96.1° | 179.9° |
C6 | C7 | C8 | H10 | 120.0° | 119.9° |
C6 | C7 | C8 | H11 | 120.1° | 120.0° |
C6 | C7 | C8 | C9 | 176.9° | 90.0° |
C7 | C6 | H5 | H6 | 120.7° | 120.0° |
C6 | C7 | H10 | H11 | 119.8° | 120.0° |
S1 | C5 | C2 | C4 | 178.0° | 180.0° |
S1 | C5 | C2 | C1 | 178.8° | 180.0° |
S1 | C5 | C4 | C3 | 178.2° | 179.7° |
S1 | C5 | C2 | H2 | 1.2° | 0.0° |
S1 | C5 | C4 | H4 | 1.8° | 0.2° |
C5 | S1 | C6 | H5 | 23.7° | 60.0° |
C5 | S1 | C6 | H6 | 144.1° | 60.0° |
C7 | C8 | C9 | C10 | 178.9° | 180.0° |
C8 | C7 | C6 | H5 | 154.7° | 60.0° |
C8 | C7 | C6 | H6 | 34.2° | 60.0° |
C8 | C7 | H10 | H11 | 119.8° | 120.0° |
C7 | C8 | C13 | H12 | 1.5° | 0.0° |
C7 | C8 | C9 | H15 | 1.1° | 0.6° |
C8 | C9 | C10 | H15 | 180.0° | 179.4° |
C9 | C8 | C7 | H10 | 56.9° | 30.0° |
C9 | C8 | C7 | H11 | 63.0° | 150.0° |
C9 | C8 | C13 | H12 | 179.2° | 179.4° |
C8 | C9 | C10 | H14 | 179.8° | 180.0° |
C5 | C2 | C1 | H2 | 180.0° | 180.0° |
C2 | C5 | C4 | C3 | 0.3° | 0.3° |
C5 | C2 | C1 | C | 0.1° | 0.0° |
C5 | C2 | C1 | H1 | 179.9° | 179.8° |
C2 | C5 | C4 | H4 | 179.7° | 179.7° |
C4 | C5 | C2 | C1 | 0.8° | 0.0° |
C5 | C4 | C3 | H4 | 180.0° | 179.5° |
C5 | C4 | C3 | C | 1.0° | 0.5° |
C4 | C5 | C2 | H2 | 179.2° | 180.0° |
C5 | C4 | C3 | H3 | 179.0° | 180.0° |
C9 | C10 | C11 | H7 | 179.5° | 180.0° |
C2 | C1 | C | H1 | 180.0° | 179.8° |
C2 | C1 | C | C3 | 1.1° | 0.2° |
C2 | C1 | C | S | 177.7° | 179.7° |
C4 | C3 | C | C1 | 1.6° | 0.5° |
C4 | C3 | C | H3 | 180.0° | 179.5° |
C4 | C3 | C | S | 178.2° | 179.5° |
C1 | C | C3 | S | 176.6° | 179.9° |
C1 | C | S | N | 43.1° | 90.1° |
C1 | C | S | O1 | 161.0° | 23.5° |
C1 | C | S | O | 77.4° | 156.5° |
C | C1 | C2 | H2 | 179.9° | 179.9° |
C1 | C | C3 | H3 | 178.4° | 179.9° |
C3 | C | S | N | 133.3° | 90.0° |
C3 | C | S | O1 | 15.4° | 156.4° |
C3 | C | S | O | 106.2° | 23.5° |
C3 | C | C1 | H1 | 178.9° | 180.0° |
C | C3 | C4 | H4 | 179.0° | 180.0° |
C | S | N | O1 | 118.4° | 113.6° |
C | S | N | O | 120.8° | 113.5° |
C | S | O1 | O | 120.1° | 123.0° |
S | C | C1 | H1 | 2.3° | 0.1° |
S | C | C3 | H3 | 1.8° | 0.0° |
C | S | N | H8 | 180.0° | 0.0° |
C | S | N | H9 | 60.0° | 180.0° |
N | S | O1 | O | 118.9° | 122.9° |
S | N | H8 | H9 | 120.0° | 179.9° |
O1 | S | N | H8 | 61.6° | 113.5° |
O1 | S | N | H9 | 58.4° | 66.4° |
O | S | N | H8 | 59.2° | 113.6° |
O | S | N | H9 | 179.2° | 66.5° |
H1 | C1 | C2 | H2 | 0.1° | 0.3° |
H3 | C3 | C4 | H4 | 1.0° | 0.6° |
H5 | C6 | C7 | H10 | 85.3° | 180.0° |
H5 | C6 | C7 | H11 | 34.6° | 60.0° |
H6 | C6 | C7 | H10 | 154.3° | 60.0° |
H6 | C6 | C7 | H11 | 85.8° | 180.0° |
H7 | C11 | C12 | H13 | 0.9° | 0.3° |
H7 | C11 | C10 | H14 | 0.5° | 0.0° |
H12 | C13 | C12 | H13 | 1.0° | 0.3° |
H14 | C10 | C9 | H15 | 0.2° | 0.6° |