ZTN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C2 | sing | 1.36Å | 1.36Å | |
F1 | C3 | sing | 1.35Å | 1.34Å | |
C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
C4 | F | sing | 1.35Å | 1.35Å | |
C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C | H1 | sing | 1.08Å | 1.08Å | |
O | H2 | sing | 0.97Å | 0.95Å | |
C1 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C2 | C3 | 120.1° | 120.1° |
O | C2 | C1 | 121.4° | 120.0° |
C2 | O | H2 | 109.5° | 114.0° |
F1 | C3 | C2 | 119.2° | 120.1° |
F1 | C3 | C4 | 119.9° | 120.1° |
C3 | C2 | C1 | 118.5° | 119.9° |
C2 | C3 | C4 | 120.9° | 119.9° |
C2 | C1 | C | 120.4° | 120.0° |
C2 | C1 | H3 | 119.8° | 120.0° |
C3 | C4 | F | 118.7° | 120.0° |
C3 | C4 | C5 | 121.4° | 120.0° |
C1 | C | C5 | 120.5° | 120.2° |
C1 | C | H1 | 119.8° | 120.0° |
C | C1 | H3 | 119.8° | 120.0° |
F | C4 | C5 | 119.9° | 120.0° |
C4 | C5 | C | 118.3° | 120.1° |
C4 | C5 | H4 | 120.8° | 119.9° |
C5 | C | H1 | 119.7° | 119.9° |
C | C5 | H4 | 120.8° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C2 | C3 | F1 | 0.0° | 0.2° |
O | C2 | C3 | C1 | 179.8° | 179.9° |
O | C2 | C3 | C4 | 179.8° | 179.8° |
O | C2 | C1 | C | 179.7° | 180.0° |
O | C2 | C1 | H3 | 0.3° | 0.1° |
F1 | C3 | C2 | C4 | 179.8° | 180.0° |
F1 | C3 | C2 | C1 | 179.8° | 179.7° |
F1 | C3 | C4 | F | 0.3° | 0.0° |
F1 | C3 | C4 | C5 | 179.8° | 179.5° |
C3 | C2 | C1 | C | 0.0° | 0.1° |
C2 | C3 | C4 | F | 179.9° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.5° |
C3 | C2 | O | H2 | 180.0° | 90.0° |
C3 | C2 | C1 | H3 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.0° | 0.3° |
C2 | C1 | C | H3 | 180.0° | 179.9° |
C2 | C1 | C | C5 | 0.0° | 0.1° |
C2 | C1 | C | H1 | 180.0° | 179.8° |
C1 | C2 | O | H2 | 0.3° | 90.1° |
C3 | C4 | F | C5 | 180.0° | 179.5° |
C3 | C4 | C5 | C | 0.1° | 0.5° |
C3 | C4 | C5 | H4 | 179.9° | 179.5° |
C1 | C | C5 | C4 | 0.0° | 0.3° |
C1 | C | C5 | H1 | 180.0° | 179.7° |
C1 | C | C5 | H4 | 180.0° | 179.7° |
F | C4 | C5 | C | 179.9° | 180.0° |
F | C4 | C5 | H4 | 0.1° | 0.1° |
C4 | C5 | C | H4 | 180.0° | 180.0° |
C4 | C5 | C | H1 | 180.0° | 180.0° |
C5 | C | C1 | H3 | 180.0° | 180.0° |
H1 | C | C1 | H3 | 0.1° | 0.3° |
H1 | C | C5 | H4 | 0.0° | 0.0° |