QH7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F11 | C10 | sing | 1.35Å | 1.36Å | |
C12 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | F09 | sing | 1.35Å | 1.36Å | |
C08 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
C02 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
C02 | F01 | sing | 1.35Å | 1.36Å | |
C03 | C04 | sing | 1.48Å | 1.52Å | |
C04 | O07 | doub | 1.22Å | 1.19Å | |
C04 | N05 | sing | 1.35Å | 1.44Å | |
N05 | O06 | sing | 1.42Å | 1.40Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.08Å | 1.08Å | |
N05 | H3 | sing | 0.97Å | 1.00Å | |
O06 | H4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F11 | C10 | C12 | 119.7° | 119.9° |
F11 | C10 | C08 | 120.2° | 119.9° |
C10 | C12 | C13 | 119.9° | 120.3° |
C12 | C10 | C08 | 120.1° | 120.1° |
C10 | C12 | H2 | 120.1° | 119.8° |
C12 | C13 | C02 | 119.8° | 120.2° |
C12 | C13 | H1 | 120.1° | 119.9° |
C13 | C12 | H2 | 120.1° | 119.8° |
C10 | C08 | F09 | 122.0° | 120.1° |
C10 | C08 | C03 | 120.1° | 119.8° |
C13 | C02 | C03 | 120.1° | 119.8° |
C13 | C02 | F01 | 120.0° | 120.1° |
C02 | C13 | H1 | 120.1° | 119.9° |
F09 | C08 | C03 | 117.9° | 120.1° |
C08 | C03 | C02 | 120.0° | 119.7° |
C08 | C03 | C04 | 118.3° | 120.2° |
C03 | C02 | F01 | 119.9° | 120.1° |
C02 | C03 | C04 | 121.7° | 120.2° |
C03 | C04 | O07 | 121.4° | 120.0° |
C03 | C04 | N05 | 119.5° | 120.0° |
O07 | C04 | N05 | 119.1° | 120.1° |
C04 | N05 | O06 | 118.0° | 120.0° |
C04 | N05 | H3 | 121.0° | 120.0° |
O06 | N05 | H3 | 121.0° | 120.0° |
N05 | O06 | H4 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F11 | C10 | C12 | C08 | 179.8° | 179.7° |
F11 | C10 | C12 | C13 | 180.0° | 179.7° |
F11 | C10 | C08 | F09 | 0.1° | 0.3° |
F11 | C10 | C08 | C03 | 179.8° | 179.7° |
F11 | C10 | C12 | H2 | 0.1° | 0.2° |
C10 | C12 | C13 | H2 | 180.0° | 179.9° |
C10 | C12 | C13 | C02 | 0.1° | 0.0° |
C12 | C10 | C08 | F09 | 179.9° | 180.0° |
C12 | C10 | C08 | C03 | 0.4° | 0.0° |
C10 | C12 | C13 | H1 | 179.9° | 180.0° |
C13 | C12 | C10 | C08 | 0.3° | 0.0° |
C12 | C13 | C02 | H1 | 180.0° | 180.0° |
C12 | C13 | C02 | C03 | 0.2° | 0.0° |
C12 | C13 | C02 | F01 | 179.9° | 179.9° |
C10 | C08 | F09 | C03 | 179.7° | 179.9° |
C10 | C08 | C03 | C02 | 0.3° | 0.0° |
C10 | C08 | C03 | C04 | 179.8° | 180.0° |
C08 | C10 | C12 | H2 | 179.7° | 179.9° |
C13 | C02 | C03 | C08 | 0.1° | 0.0° |
C13 | C02 | C03 | F01 | 179.9° | 179.9° |
C13 | C02 | C03 | C04 | 179.9° | 180.0° |
C02 | C13 | C12 | H2 | 180.0° | 180.0° |
F09 | C08 | C03 | C02 | 180.0° | 180.0° |
F09 | C08 | C03 | C04 | 0.1° | 0.0° |
C08 | C03 | C02 | C04 | 179.9° | 180.0° |
C08 | C03 | C02 | F01 | 179.9° | 179.9° |
C08 | C03 | C04 | O07 | 8.3° | 90.1° |
C08 | C03 | C04 | N05 | 171.9° | 90.0° |
C02 | C03 | C04 | O07 | 171.8° | 89.9° |
C02 | C03 | C04 | N05 | 8.0° | 90.0° |
C03 | C02 | C13 | H1 | 179.7° | 180.0° |
F01 | C02 | C03 | C04 | 0.0° | 0.1° |
F01 | C02 | C13 | H1 | 0.1° | 0.1° |
C03 | C04 | O07 | N05 | 179.8° | 180.0° |
C03 | C04 | N05 | O06 | 179.5° | 179.9° |
C03 | C04 | N05 | H3 | 0.5° | 0.0° |
O07 | C04 | N05 | O06 | 0.3° | 0.0° |
O07 | C04 | N05 | H3 | 179.7° | 179.9° |
C04 | N05 | O06 | H3 | 180.0° | 179.9° |
C04 | N05 | O06 | H4 | 0.2° | 180.0° |
H1 | C13 | C12 | H2 | 0.1° | 0.1° |
H3 | N05 | O06 | H4 | 179.9° | 0.1° |