N8F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
O1 | C3 | doub | 1.21Å | 1.22Å | |
C12 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | C3 | sing | 1.34Å | 1.38Å | |
N1 | C4 | sing | 1.34Å | 1.38Å | |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C6 | C2 | sing | 1.53Å | 1.53Å | |
C6 | S1 | sing | 1.81Å | 1.78Å | |
C7 | S1 | sing | 1.76Å | 1.77Å | |
C4 | O2 | doub | 1.21Å | 1.21Å | |
C4 | C5 | sing | 1.51Å | 1.49Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C1 | C5 | sing | 1.53Å | 1.52Å | |
S1 | O4 | doub | 1.42Å | 1.44Å | |
S1 | O3 | doub | 1.42Å | 1.44Å | |
N1 | H4 | sing | 0.97Å | 1.00Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H11 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H12 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C9 | 120.2° | 120.0° |
C10 | C11 | C12 | 120.2° | 120.0° |
C11 | C10 | H11 | 119.9° | 120.0° |
C10 | C11 | H12 | 119.9° | 120.0° |
C10 | C9 | C8 | 120.3° | 120.0° |
C9 | C10 | H11 | 119.9° | 119.9° |
C10 | C9 | H10 | 119.9° | 120.0° |
C11 | C12 | C7 | 119.6° | 120.0° |
C12 | C11 | H12 | 119.9° | 120.0° |
C11 | C12 | H13 | 120.2° | 120.0° |
C9 | C8 | C7 | 119.4° | 120.0° |
C9 | C8 | H9 | 120.3° | 120.0° |
C8 | C9 | H10 | 119.8° | 120.0° |
O1 | C3 | N1 | 119.8° | 119.3° |
O1 | C3 | C2 | 122.8° | 119.4° |
C12 | C7 | C8 | 120.4° | 120.0° |
C12 | C7 | S1 | 119.6° | 120.0° |
C7 | C12 | H13 | 120.3° | 120.0° |
C8 | C7 | S1 | 120.0° | 120.0° |
C7 | C8 | H9 | 120.3° | 120.0° |
C3 | N1 | C4 | 127.0° | 122.5° |
N1 | C3 | C2 | 117.4° | 121.3° |
C3 | N1 | H4 | 116.5° | 118.7° |
N1 | C4 | O2 | 120.5° | 119.3° |
N1 | C4 | C5 | 116.8° | 121.3° |
C4 | N1 | H4 | 116.5° | 118.7° |
C3 | C2 | C6 | 113.6° | 109.5° |
C3 | C2 | C1 | 111.2° | 109.2° |
C3 | C2 | H3 | 107.7° | 109.6° |
C2 | C6 | S1 | 115.7° | 109.5° |
C6 | C2 | C1 | 109.2° | 109.5° |
C2 | C6 | H7 | 107.9° | 109.4° |
C2 | C6 | H8 | 107.9° | 109.5° |
C6 | C2 | H3 | 107.4° | 109.6° |
C6 | S1 | C7 | 103.6° | 104.4° |
C6 | S1 | O4 | 105.7° | 110.5° |
C6 | S1 | O3 | 112.1° | 110.5° |
S1 | C6 | H7 | 107.9° | 109.5° |
S1 | C6 | H8 | 107.9° | 109.5° |
C7 | S1 | O4 | 108.3° | 104.3° |
C7 | S1 | O3 | 108.5° | 104.3° |
O2 | C4 | C5 | 122.7° | 119.4° |
C4 | C5 | C1 | 113.0° | 109.2° |
C4 | C5 | H6 | 108.6° | 109.5° |
C4 | C5 | H5 | 108.6° | 109.5° |
C2 | C1 | C5 | 111.1° | 108.5° |
C2 | C1 | H2 | 109.1° | 109.6° |
C2 | C1 | H1 | 109.1° | 109.8° |
C1 | C2 | H3 | 107.6° | 109.5° |
C1 | C5 | H6 | 108.6° | 109.5° |
C1 | C5 | H5 | 108.6° | 109.6° |
C5 | C1 | H2 | 109.1° | 109.6° |
C5 | C1 | H1 | 109.1° | 109.7° |
O4 | S1 | O3 | 117.6° | 121.0° |
H6 | C5 | H5 | 109.5° | 109.5° |
H7 | C6 | H8 | 109.4° | 109.5° |
H2 | C1 | H1 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C9 | H11 | 180.0° | 179.8° |
C10 | C11 | C12 | H12 | 180.0° | 179.8° |
C11 | C10 | C9 | C8 | 0.7° | 0.2° |
C10 | C11 | C12 | C7 | 0.1° | 0.1° |
C11 | C10 | C9 | H10 | 179.3° | 179.7° |
C10 | C11 | C12 | H13 | 179.8° | 180.0° |
C9 | C10 | C11 | C12 | 0.4° | 0.2° |
C10 | C9 | C8 | H10 | 180.0° | 179.9° |
C10 | C9 | C8 | C7 | 0.4° | 0.0° |
C10 | C9 | C8 | H9 | 179.7° | 180.0° |
C9 | C10 | C11 | H12 | 179.6° | 180.0° |
C11 | C12 | C7 | H13 | 180.0° | 179.9° |
C11 | C12 | C7 | C8 | 0.5° | 0.3° |
C11 | C12 | C7 | S1 | 179.9° | 179.9° |
C12 | C11 | C10 | H11 | 179.6° | 180.0° |
C9 | C8 | C7 | C12 | 0.2° | 0.2° |
C9 | C8 | C7 | H9 | 180.0° | 179.9° |
C9 | C8 | C7 | S1 | 179.8° | 180.0° |
C8 | C9 | C10 | H11 | 179.3° | 180.0° |
O1 | C3 | N1 | C2 | 179.3° | 179.8° |
O1 | C3 | N1 | C4 | 174.5° | 179.5° |
O1 | C3 | C2 | C6 | 31.1° | 31.1° |
O1 | C3 | C2 | C1 | 154.7° | 151.0° |
O1 | C3 | N1 | H4 | 5.5° | 0.7° |
O1 | C3 | C2 | H3 | 87.8° | 89.1° |
C12 | C7 | C8 | S1 | 179.6° | 179.8° |
C12 | C7 | S1 | C6 | 83.2° | 89.8° |
C12 | C7 | S1 | O4 | 28.7° | 26.3° |
C12 | C7 | S1 | O3 | 157.4° | 154.2° |
C12 | C7 | C8 | H9 | 179.8° | 179.7° |
C7 | C12 | C11 | H12 | 179.9° | 179.7° |
C8 | C7 | S1 | C6 | 97.1° | 90.1° |
C8 | C7 | S1 | O4 | 151.0° | 153.9° |
C8 | C7 | S1 | O3 | 22.2° | 26.0° |
C7 | C8 | C9 | H10 | 179.6° | 179.9° |
C8 | C7 | C12 | H13 | 179.5° | 179.8° |
C3 | N1 | C4 | H4 | 180.0° | 179.8° |
N1 | C3 | C2 | C6 | 148.2° | 149.0° |
C3 | N1 | C4 | O2 | 170.9° | 179.4° |
C3 | N1 | C4 | C5 | 7.6° | 0.6° |
N1 | C3 | C2 | C1 | 24.6° | 29.2° |
N1 | C3 | C2 | H3 | 92.9° | 90.8° |
C4 | N1 | C3 | C2 | 6.2° | 0.6° |
N1 | C4 | O2 | C5 | 178.4° | 180.0° |
N1 | C4 | C5 | C1 | 22.1° | 29.1° |
N1 | C4 | C5 | H6 | 142.7° | 149.0° |
N1 | C4 | C5 | H5 | 98.4° | 90.8° |
C3 | C2 | C6 | C1 | 124.7° | 119.7° |
C3 | C2 | C6 | H3 | 119.0° | 120.2° |
C3 | C2 | C6 | S1 | 154.2° | 174.6° |
C3 | C2 | C1 | H3 | 117.7° | 120.0° |
C3 | C2 | C1 | C5 | 52.2° | 55.6° |
C2 | C3 | N1 | H4 | 173.8° | 179.2° |
C3 | C2 | C6 | H7 | 33.3° | 54.6° |
C3 | C2 | C6 | H8 | 84.9° | 65.4° |
C3 | C2 | C1 | H2 | 172.5° | 64.1° |
C3 | C2 | C1 | H1 | 68.0° | 175.5° |
C2 | C6 | S1 | H7 | 120.9° | 119.9° |
C2 | C6 | S1 | H8 | 120.9° | 120.1° |
C2 | C6 | S1 | C7 | 168.7° | 174.4° |
C6 | C2 | C1 | H3 | 116.3° | 120.1° |
C6 | C2 | C1 | C5 | 178.3° | 175.5° |
C2 | C6 | S1 | O4 | 77.5° | 62.7° |
C2 | C6 | S1 | O3 | 51.8° | 74.0° |
C2 | C6 | H7 | H8 | 117.2° | 120.1° |
C6 | C2 | C1 | H2 | 61.4° | 55.8° |
C6 | C2 | C1 | H1 | 58.1° | 64.7° |
C6 | S1 | C7 | O4 | 111.9° | 116.0° |
C6 | S1 | C7 | O3 | 119.3° | 116.1° |
S1 | C6 | C2 | C1 | 81.1° | 65.8° |
C6 | S1 | O4 | O3 | 126.0° | 131.5° |
S1 | C6 | H7 | H8 | 117.2° | 120.0° |
S1 | C6 | C2 | H3 | 35.2° | 54.3° |
C7 | S1 | O4 | O3 | 123.5° | 116.8° |
C7 | S1 | C6 | H7 | 70.4° | 54.4° |
C7 | S1 | C6 | H8 | 47.7° | 65.6° |
S1 | C7 | C8 | H9 | 0.1° | 0.1° |
S1 | C7 | C12 | H13 | 0.1° | 0.0° |
O2 | C4 | C5 | C1 | 159.4° | 150.8° |
O2 | C4 | N1 | H4 | 9.1° | 0.8° |
O2 | C4 | C5 | H6 | 38.9° | 31.0° |
O2 | C4 | C5 | H5 | 80.1° | 89.2° |
C4 | C5 | C1 | C2 | 51.6° | 55.6° |
C4 | C5 | C1 | H6 | 120.5° | 119.9° |
C4 | C5 | C1 | H5 | 120.5° | 119.9° |
C5 | C4 | N1 | H4 | 172.4° | 179.2° |
C4 | C5 | H6 | H5 | 118.4° | 120.2° |
C4 | C5 | C1 | H2 | 171.9° | 64.1° |
C4 | C5 | C1 | H1 | 68.6° | 175.5° |
C2 | C1 | C5 | H2 | 120.3° | 119.7° |
C2 | C1 | C5 | H1 | 120.2° | 119.9° |
C2 | C1 | C5 | H6 | 172.2° | 175.5° |
C2 | C1 | C5 | H5 | 68.9° | 64.3° |
C1 | C2 | C6 | H7 | 158.0° | 174.3° |
C1 | C2 | C6 | H8 | 39.8° | 54.2° |
C2 | C1 | H2 | H1 | 119.2° | 120.5° |
C1 | C5 | H6 | H5 | 118.4° | 120.2° |
C5 | C1 | H2 | H1 | 119.3° | 120.4° |
C5 | C1 | C2 | H3 | 65.4° | 64.4° |
O4 | S1 | C6 | H7 | 43.4° | 57.2° |
O4 | S1 | C6 | H8 | 161.5° | 177.2° |
O3 | S1 | C6 | H7 | 172.7° | 166.1° |
O3 | S1 | C6 | H8 | 69.1° | 46.1° |
H6 | C5 | C1 | H2 | 67.6° | 55.8° |
H6 | C5 | C1 | H1 | 51.9° | 64.6° |
H5 | C5 | C1 | H2 | 51.4° | 176.0° |
H5 | C5 | C1 | H1 | 170.9° | 55.6° |
H7 | C6 | C2 | H3 | 85.7° | 65.6° |
H8 | C6 | C2 | H3 | 156.2° | 174.4° |
H9 | C8 | C9 | H10 | 0.4° | 0.0° |
H11 | C10 | C9 | H10 | 0.7° | 0.1° |
H11 | C10 | C11 | H12 | 0.4° | 0.2° |
H2 | C1 | C2 | H3 | 54.9° | 175.9° |
H1 | C1 | C2 | H3 | 174.4° | 55.5° |
H12 | C11 | C12 | H13 | 0.1° | 0.2° |