G7F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C8 | sing | 1.53Å | 1.53Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C8 | C7 | sing | 1.51Å | 1.50Å | |
C10 | C11 | sing | 1.53Å | 1.54Å | |
C7 | C6 | doub | 1.35Å | 1.46Å | Aromatic |
C7 | S | sing | 1.76Å | 1.73Å | Aromatic |
C11 | C6 | sing | 1.52Å | 1.51Å | |
C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
S | C5 | sing | 1.71Å | 1.74Å | Aromatic |
N1 | C5 | doub | 1.29Å | 1.35Å | Aromatic |
C5 | C4 | sing | 1.51Å | 1.51Å | |
C4 | N | sing | 1.47Å | 1.45Å | |
O | C2 | doub | 1.22Å | 1.23Å | |
C2 | N | sing | 1.35Å | 1.33Å | |
C2 | C1 | sing | 1.47Å | 1.51Å | |
N | C3 | sing | 1.46Å | 1.47Å | |
C1 | C | doub | 1.33Å | 1.51Å | |
C1 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.08Å | 1.08Å | |
C | H18 | sing | 1.08Å | 1.08Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C9 | C10 | 113.7° | 109.0° |
C9 | C8 | C7 | 106.1° | 108.6° |
C9 | C8 | H11 | 110.3° | 109.6° |
C9 | C8 | H10 | 110.3° | 109.8° |
C8 | C9 | H13 | 108.4° | 109.5° |
C8 | C9 | H12 | 108.4° | 109.5° |
C9 | C10 | C11 | 114.6° | 109.4° |
C9 | C10 | H14 | 108.2° | 109.4° |
C9 | C10 | H15 | 108.2° | 109.5° |
C10 | C9 | H13 | 108.4° | 109.7° |
C10 | C9 | H12 | 108.4° | 109.6° |
C8 | C7 | C6 | 129.0° | 125.2° |
C8 | C7 | S | 121.8° | 126.2° |
C7 | C8 | H11 | 110.3° | 109.6° |
C7 | C8 | H10 | 110.3° | 109.6° |
C10 | C11 | C6 | 107.8° | 108.7° |
C10 | C11 | H16 | 109.9° | 109.6° |
C10 | C11 | H17 | 109.9° | 109.7° |
C11 | C10 | H14 | 108.2° | 109.5° |
C11 | C10 | H15 | 108.2° | 109.5° |
C6 | C7 | S | 109.2° | 108.5° |
C7 | C6 | C11 | 120.1° | 122.7° |
C7 | C6 | N1 | 112.4° | 113.1° |
C7 | S | C5 | 91.6° | 90.3° |
C11 | C6 | N1 | 127.5° | 124.2° |
C6 | C11 | H16 | 109.9° | 109.6° |
C6 | C11 | H17 | 109.9° | 109.6° |
C6 | N1 | C5 | 114.6° | 117.9° |
S | C5 | N1 | 112.2° | 110.2° |
S | C5 | C4 | 118.2° | 124.9° |
N1 | C5 | C4 | 129.6° | 124.9° |
C5 | C4 | N | 110.7° | 109.5° |
C5 | C4 | H8 | 109.1° | 109.5° |
C5 | C4 | H9 | 109.2° | 109.5° |
C4 | N | C2 | 120.4° | 120.0° |
C4 | N | C3 | 115.0° | 120.0° |
N | C4 | H8 | 109.1° | 109.5° |
N | C4 | H9 | 109.2° | 109.4° |
O | C2 | N | 119.5° | 120.0° |
O | C2 | C1 | 121.1° | 120.0° |
N | C2 | C1 | 119.3° | 120.0° |
C2 | N | C3 | 124.6° | 120.0° |
C2 | C1 | C | 111.3° | 120.0° |
C2 | C1 | H4 | 124.3° | 120.0° |
N | C3 | H5 | 109.5° | 109.5° |
N | C3 | H6 | 109.5° | 109.5° |
N | C3 | H7 | 109.4° | 109.5° |
C | C1 | H4 | 124.3° | 120.0° |
C1 | C | H2 | 120.0° | 120.0° |
C1 | C | H18 | 120.0° | 120.0° |
H5 | C3 | H6 | 109.5° | 109.5° |
H5 | C3 | H7 | 109.4° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H8 | C4 | H9 | 109.5° | 109.4° |
H16 | C11 | H17 | 109.5° | 109.6° |
H2 | C | H18 | 120.0° | 120.0° |
H14 | C10 | H15 | 109.5° | 109.5° |
H11 | C8 | H10 | 109.5° | 109.6° |
H13 | C9 | H12 | 109.4° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C9 | C10 | H13 | 120.7° | 119.9° |
C8 | C9 | C10 | H12 | 120.6° | 119.8° |
C9 | C8 | C7 | H11 | 119.5° | 119.7° |
C9 | C8 | C7 | H10 | 119.5° | 119.9° |
C8 | C9 | C10 | C11 | 65.7° | 70.4° |
C9 | C8 | C7 | C6 | 11.9° | 16.0° |
C9 | C8 | C7 | S | 168.4° | 164.0° |
C8 | C9 | C10 | H14 | 55.0° | 169.6° |
C8 | C9 | C10 | H15 | 173.6° | 49.6° |
C9 | C8 | H11 | H10 | 121.5° | 120.6° |
C8 | C9 | H13 | H12 | 118.1° | 120.2° |
C10 | C9 | C8 | C7 | 41.6° | 49.3° |
C9 | C10 | C11 | H14 | 120.8° | 120.0° |
C9 | C10 | C11 | H15 | 120.7° | 120.0° |
C9 | C10 | C11 | C6 | 48.4° | 51.2° |
C9 | C10 | C11 | H16 | 168.1° | 68.5° |
C9 | C10 | C11 | H17 | 71.4° | 171.1° |
C9 | C10 | H14 | H15 | 117.7° | 120.0° |
C10 | C9 | C8 | H11 | 161.1° | 70.4° |
C10 | C9 | C8 | H10 | 77.8° | 169.1° |
C10 | C9 | H13 | H12 | 118.1° | 120.3° |
C8 | C7 | C6 | S | 179.7° | 179.9° |
C8 | C7 | C6 | C11 | 0.3° | 0.1° |
C8 | C7 | C6 | N1 | 179.3° | 180.0° |
C8 | C7 | S | C5 | 179.6° | 179.9° |
C7 | C8 | H11 | H10 | 121.5° | 120.3° |
C7 | C8 | C9 | H13 | 162.3° | 70.6° |
C7 | C8 | C9 | H12 | 79.0° | 169.2° |
C10 | C11 | C6 | C7 | 17.3° | 17.5° |
C10 | C11 | C6 | H16 | 119.7° | 119.7° |
C10 | C11 | C6 | H17 | 119.7° | 119.9° |
C10 | C11 | C6 | N1 | 162.1° | 162.4° |
C10 | C11 | H16 | H17 | 120.8° | 120.5° |
C11 | C10 | H14 | H15 | 117.7° | 120.0° |
C11 | C10 | C9 | H13 | 173.7° | 49.4° |
C11 | C10 | C9 | H12 | 54.9° | 169.7° |
C7 | C6 | C11 | N1 | 179.5° | 179.9° |
C6 | C7 | S | C5 | 0.1° | 0.2° |
C7 | C6 | N1 | C5 | 0.7° | 0.1° |
C7 | C6 | C11 | H16 | 137.1° | 102.3° |
C7 | C6 | C11 | H17 | 102.4° | 137.4° |
C6 | C7 | C8 | H11 | 131.4° | 103.7° |
C6 | C7 | C8 | H10 | 107.5° | 135.9° |
S | C7 | C6 | C11 | 180.0° | 179.8° |
S | C7 | C6 | N1 | 0.5° | 0.1° |
C7 | S | C5 | N1 | 0.2° | 0.2° |
C7 | S | C5 | C4 | 179.5° | 180.0° |
S | C7 | C8 | H11 | 48.9° | 76.2° |
S | C7 | C8 | H10 | 72.1° | 44.1° |
C11 | C6 | N1 | C5 | 179.8° | 180.0° |
C6 | C11 | H16 | H17 | 120.8° | 120.3° |
C6 | C11 | C10 | H14 | 72.4° | 171.2° |
C6 | C11 | C10 | H15 | 169.1° | 68.8° |
C6 | N1 | C5 | S | 0.5° | 0.2° |
C6 | N1 | C5 | C4 | 179.1° | 180.0° |
N1 | C6 | C11 | H16 | 42.4° | 77.9° |
N1 | C6 | C11 | H17 | 78.1° | 42.5° |
S | C5 | N1 | C4 | 179.7° | 179.7° |
S | C5 | C4 | N | 84.8° | 90.3° |
S | C5 | C4 | H8 | 35.4° | 29.7° |
S | C5 | C4 | H9 | 155.0° | 149.7° |
N1 | C5 | C4 | N | 94.8° | 90.0° |
N1 | C5 | C4 | H8 | 145.0° | 150.0° |
N1 | C5 | C4 | H9 | 25.4° | 30.0° |
C5 | C4 | N | H8 | 120.2° | 120.1° |
C5 | C4 | N | H9 | 120.2° | 120.0° |
C5 | C4 | N | C2 | 105.9° | 90.0° |
C5 | C4 | N | C3 | 75.1° | 90.0° |
C5 | C4 | H8 | H9 | 119.4° | 120.0° |
C4 | N | C2 | O | 2.4° | 0.0° |
C4 | N | C2 | C3 | 178.9° | 180.0° |
C4 | N | C2 | C1 | 174.0° | 180.0° |
C4 | N | C3 | H5 | 180.0° | 90.0° |
C4 | N | C3 | H6 | 60.0° | 29.9° |
C4 | N | C3 | H7 | 60.0° | 150.0° |
N | C4 | H8 | H9 | 119.4° | 119.9° |
O | C2 | N | C1 | 176.4° | 180.0° |
O | C2 | N | C3 | 178.7° | 180.0° |
O | C2 | C1 | C | 88.6° | 0.0° |
O | C2 | C1 | H4 | 91.5° | 179.8° |
N | C2 | C1 | C | 87.8° | 180.0° |
N | C2 | C1 | H4 | 92.2° | 0.2° |
C2 | N | C3 | H5 | 1.1° | 90.0° |
C2 | N | C3 | H6 | 119.0° | 150.0° |
C2 | N | C3 | H7 | 121.0° | 30.0° |
C2 | N | C4 | H8 | 14.2° | 30.1° |
C2 | N | C4 | H9 | 133.9° | 150.0° |
C1 | C2 | N | C3 | 4.9° | 0.0° |
C2 | C1 | C | H4 | 180.0° | 179.8° |
C2 | C1 | C | H2 | 180.0° | 0.2° |
C2 | C1 | C | H18 | 0.0° | 179.7° |
N | C3 | H5 | H6 | 120.0° | 120.0° |
N | C3 | H5 | H7 | 120.0° | 120.0° |
N | C3 | H6 | H7 | 120.0° | 120.0° |
C3 | N | C4 | H8 | 164.8° | 150.0° |
C3 | N | C4 | H9 | 45.1° | 30.0° |
C1 | C | H2 | H18 | 180.0° | 180.0° |
H4 | C1 | C | H2 | 0.0° | 180.0° |
H4 | C1 | C | H18 | 180.0° | 0.1° |
H5 | C3 | H6 | H7 | 120.0° | 120.0° |
H16 | C11 | C10 | H14 | 47.4° | 51.4° |
H16 | C11 | C10 | H15 | 71.1° | 171.5° |
H17 | C11 | C10 | H14 | 167.9° | 69.0° |
H17 | C11 | C10 | H15 | 49.4° | 51.1° |
H14 | C10 | C9 | H13 | 65.6° | 70.6° |
H14 | C10 | C9 | H12 | 175.7° | 49.7° |
H15 | C10 | C9 | H13 | 52.9° | 169.4° |
H15 | C10 | C9 | H12 | 65.8° | 70.3° |
H11 | C8 | C9 | H13 | 78.2° | 169.6° |
H11 | C8 | C9 | H12 | 40.5° | 49.5° |
H10 | C8 | C9 | H13 | 42.8° | 49.1° |
H10 | C8 | C9 | H12 | 161.5° | 71.0° |