RG6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | S2 | sing | 1.81Å | 1.74Å | |
C1 | F3 | sing | 1.40Å | 1.28Å | |
C1 | F4 | sing | 1.40Å | 1.34Å | |
C1 | F5 | sing | 1.40Å | 1.34Å | |
S2 | C6 | sing | 1.76Å | 1.78Å | |
C6 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
C6 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
C7 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
C7 | O10 | sing | 1.36Å | 1.37Å | |
C8 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
C9 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
C11 | S14 | sing | 1.76Å | 1.77Å | |
S14 | C15 | sing | 1.81Å | 1.78Å | |
C15 | F16 | sing | 1.40Å | 1.34Å | |
C15 | F17 | sing | 1.40Å | 1.32Å | |
C15 | F18 | sing | 1.40Å | 1.31Å | |
C8 | H19 | sing | 1.08Å | 1.08Å | |
O10 | H20 | sing | 0.97Å | 0.95Å | |
C12 | H21 | sing | 1.08Å | 1.08Å | |
CL13 | C9 | sing | 1.74Å | 1.72Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S2 | C1 | F3 | 104.9° | 109.5° |
S2 | C1 | F4 | 112.7° | 109.5° |
S2 | C1 | F5 | 112.4° | 109.5° |
C1 | S2 | C6 | 96.8° | 103.0° |
F3 | C1 | F4 | 112.7° | 109.4° |
F3 | C1 | F5 | 109.7° | 109.4° |
F4 | C1 | F5 | 104.7° | 109.4° |
S2 | C6 | C7 | 121.2° | 120.1° |
S2 | C6 | C8 | 120.4° | 120.0° |
C7 | C6 | C8 | 118.3° | 119.9° |
C6 | C7 | C9 | 119.3° | 120.0° |
C6 | C7 | O10 | 122.8° | 120.0° |
C6 | C8 | C11 | 120.3° | 119.9° |
C6 | C8 | H19 | 119.8° | 120.0° |
C9 | C7 | O10 | 117.8° | 120.0° |
C7 | C9 | C12 | 121.4° | 120.0° |
C7 | C9 | CL13 | 125.0° | 120.0° |
C7 | O10 | H20 | 109.5° | 114.0° |
C8 | C11 | C12 | 119.9° | 120.0° |
C8 | C11 | S14 | 122.2° | 120.0° |
C11 | C8 | H19 | 119.9° | 120.1° |
C9 | C12 | C11 | 120.6° | 120.1° |
C9 | C12 | H21 | 119.7° | 119.9° |
C12 | C9 | CL13 | 113.5° | 120.0° |
C12 | C11 | S14 | 117.6° | 120.0° |
C11 | C12 | H21 | 119.7° | 120.0° |
C11 | S14 | C15 | 102.1° | 103.0° |
S14 | C15 | F16 | 109.2° | 109.5° |
S14 | C15 | F17 | 117.4° | 109.5° |
S14 | C15 | F18 | 113.5° | 109.5° |
F16 | C15 | F17 | 109.2° | 109.5° |
F16 | C15 | F18 | 109.3° | 109.5° |
F17 | C15 | F18 | 97.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S2 | C1 | F3 | F4 | 122.9° | 120.0° |
S2 | C1 | F3 | F5 | 120.9° | 120.0° |
S2 | C1 | F4 | F5 | 122.5° | 120.0° |
C1 | S2 | C6 | C7 | 91.9° | 180.0° |
C1 | S2 | C6 | C8 | 90.4° | 0.0° |
F3 | C1 | F4 | F5 | 119.1° | 119.9° |
F3 | C1 | S2 | C6 | 178.6° | 60.0° |
F4 | C1 | S2 | C6 | 55.7° | 180.0° |
F5 | C1 | S2 | C6 | 62.3° | 60.0° |
S2 | C6 | C7 | C8 | 177.7° | 180.0° |
S2 | C6 | C7 | C9 | 175.4° | 179.7° |
S2 | C6 | C7 | O10 | 0.4° | 0.0° |
S2 | C6 | C8 | C11 | 179.3° | 180.0° |
S2 | C6 | C8 | H19 | 0.7° | 0.0° |
C6 | C7 | C9 | O10 | 176.0° | 179.7° |
C7 | C6 | C8 | C11 | 1.6° | 0.0° |
C6 | C7 | C9 | C12 | 2.9° | 0.6° |
C7 | C6 | C8 | H19 | 178.4° | 180.0° |
C6 | C7 | O10 | H20 | 180.0° | 90.0° |
C6 | C7 | C9 | CL13 | 179.6° | 180.0° |
C8 | C6 | C7 | C9 | 2.3° | 0.3° |
C8 | C6 | C7 | O10 | 178.1° | 180.0° |
C6 | C8 | C11 | H19 | 180.0° | 180.0° |
C6 | C8 | C11 | C12 | 5.0° | 0.0° |
C6 | C8 | C11 | S14 | 178.2° | 179.7° |
C7 | C9 | C12 | CL13 | 177.7° | 179.4° |
C7 | C9 | C12 | C11 | 0.5° | 0.6° |
C9 | C7 | O10 | H20 | 4.1° | 90.3° |
C7 | C9 | C12 | H21 | 179.5° | 179.5° |
O10 | C7 | C9 | C12 | 178.9° | 179.7° |
O10 | C7 | C9 | CL13 | 3.6° | 0.3° |
C8 | C11 | C12 | C9 | 4.5° | 0.3° |
C8 | C11 | C12 | S14 | 173.5° | 179.7° |
C8 | C11 | S14 | C15 | 73.9° | 179.7° |
C8 | C11 | C12 | H21 | 175.5° | 179.8° |
C9 | C12 | C11 | H21 | 180.0° | 179.9° |
C9 | C12 | C11 | S14 | 178.0° | 180.0° |
C12 | C11 | S14 | C15 | 99.5° | 0.0° |
C12 | C11 | C8 | H19 | 175.0° | 180.0° |
C11 | C12 | C9 | CL13 | 177.2° | 180.0° |
C11 | S14 | C15 | F16 | 175.1° | 60.0° |
C11 | S14 | C15 | F17 | 50.2° | 180.0° |
C11 | S14 | C15 | F18 | 62.6° | 60.0° |
S14 | C11 | C8 | H19 | 1.8° | 0.2° |
S14 | C11 | C12 | H21 | 2.0° | 0.0° |
S14 | C15 | F16 | F17 | 129.5° | 120.0° |
S14 | C15 | F16 | F18 | 124.7° | 120.0° |
S14 | C15 | F17 | F18 | 121.5° | 120.0° |
F16 | C15 | F17 | F18 | 113.6° | 120.0° |
H21 | C12 | C9 | CL13 | 2.8° | 0.1° |