ZO1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F3 | C32 | sing | 1.40Å | 1.31Å | |
F2 | C32 | sing | 1.40Å | 1.34Å | |
C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
C32 | C22 | sing | 1.51Å | 1.49Å | |
C32 | F1 | sing | 1.40Å | 1.30Å | |
C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
C21 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
C20 | C10 | sing | 1.48Å | 1.51Å | |
C10 | O08 | doub | 1.21Å | 1.25Å | |
C21 | H2 | sing | 1.08Å | 1.08Å | |
C23 | H3 | sing | 1.08Å | 1.08Å | |
C24 | H4 | sing | 1.08Å | 1.08Å | |
C25 | H5 | sing | 1.08Å | 1.08Å | |
C10 | OXT | sing | 1.35Å | 43.88Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F3 | C32 | F2 | 112.8° | 109.5° |
F3 | C32 | C22 | 111.8° | 109.4° |
F3 | C32 | F1 | 104.0° | 109.5° |
F2 | C32 | C22 | 109.9° | 109.5° |
F2 | C32 | F1 | 105.5° | 109.5° |
C24 | C23 | C22 | 122.5° | 120.3° |
C23 | C24 | C25 | 119.0° | 120.1° |
C24 | C23 | H3 | 118.7° | 119.9° |
C23 | C24 | H4 | 120.5° | 119.9° |
C23 | C22 | C32 | 121.5° | 119.9° |
C23 | C22 | C21 | 120.0° | 120.2° |
C22 | C23 | H3 | 118.7° | 119.8° |
C22 | C32 | F1 | 112.6° | 109.5° |
C32 | C22 | C21 | 118.5° | 119.9° |
C24 | C25 | C20 | 119.0° | 119.8° |
C25 | C24 | H4 | 120.5° | 120.0° |
C24 | C25 | H5 | 120.5° | 120.1° |
C22 | C21 | C20 | 118.1° | 119.8° |
C22 | C21 | H2 | 121.0° | 120.1° |
C25 | C20 | C21 | 121.5° | 119.7° |
C25 | C20 | C10 | 116.5° | 120.1° |
C20 | C25 | H5 | 120.5° | 120.1° |
C21 | C20 | C10 | 122.0° | 120.2° |
C20 | C21 | H2 | 121.0° | 120.1° |
C20 | C10 | O08 | 121.6° | 120.0° |
C20 | C10 | OXT | 60.8° | 120.0° |
O08 | C10 | OXT | 95.2° | 120.0° |
C10 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F3 | C32 | F2 | C22 | 125.5° | 120.0° |
F3 | C32 | F2 | F1 | 112.9° | 120.0° |
F3 | C32 | C22 | C23 | 12.7° | 150.0° |
F3 | C32 | C22 | F1 | 116.7° | 120.0° |
F3 | C32 | C22 | C21 | 169.7° | 30.0° |
F2 | C32 | C22 | C23 | 113.4° | 30.0° |
F2 | C32 | C22 | F1 | 117.3° | 120.0° |
F2 | C32 | C22 | C21 | 64.3° | 150.0° |
C24 | C23 | C22 | H3 | 180.0° | 179.7° |
C24 | C23 | C22 | C32 | 178.4° | 180.0° |
C23 | C24 | C25 | H4 | 180.0° | 179.8° |
C24 | C23 | C22 | C21 | 0.8° | 0.0° |
C23 | C24 | C25 | C20 | 0.4° | 0.5° |
C23 | C24 | C25 | H5 | 179.6° | 179.9° |
C23 | C22 | C32 | C21 | 177.7° | 180.0° |
C23 | C22 | C32 | F1 | 129.3° | 90.0° |
C22 | C23 | C24 | C25 | 0.3° | 0.2° |
C23 | C22 | C21 | C20 | 1.2° | 0.0° |
C23 | C22 | C21 | H2 | 178.8° | 180.0° |
C22 | C23 | C24 | H4 | 179.7° | 180.0° |
C32 | C22 | C21 | C20 | 178.9° | 180.0° |
C32 | C22 | C21 | H2 | 1.1° | 0.0° |
C32 | C22 | C23 | H3 | 1.6° | 0.3° |
F1 | C32 | C22 | C21 | 53.0° | 90.0° |
C24 | C25 | C20 | H5 | 180.0° | 179.5° |
C24 | C25 | C20 | C21 | 1.0° | 0.5° |
C24 | C25 | C20 | C10 | 178.9° | 179.8° |
C25 | C24 | C23 | H3 | 179.6° | 180.0° |
C22 | C21 | C20 | C25 | 1.3° | 0.2° |
C22 | C21 | C20 | H2 | 180.0° | 180.0° |
C22 | C21 | C20 | C10 | 179.2° | 180.0° |
C21 | C22 | C23 | H3 | 179.2° | 179.7° |
C25 | C20 | C21 | C10 | 177.9° | 179.7° |
C25 | C20 | C10 | O08 | 13.4° | 179.7° |
C25 | C20 | C21 | H2 | 178.7° | 179.8° |
C20 | C25 | C24 | H4 | 179.6° | 179.7° |
C25 | C20 | C10 | OXT | 90.5° | 0.5° |
C21 | C20 | C10 | O08 | 164.6° | 0.0° |
C21 | C20 | C25 | H5 | 179.0° | 179.9° |
C21 | C20 | C10 | OXT | 87.4° | 179.8° |
C20 | C10 | O08 | OXT | 58.7° | 179.8° |
C10 | C20 | C21 | H2 | 0.8° | 0.0° |
C10 | C20 | C25 | H5 | 1.1° | 0.2° |
C20 | C10 | OXT | HXT | 90.0° | 179.7° |
O08 | C10 | OXT | HXT | 90.0° | 0.1° |
H3 | C23 | C24 | H4 | 0.4° | 0.2° |
H4 | C24 | C25 | H5 | 0.4° | 0.2° |