ZNV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | doub | 1.31Å | 1.31Å | |
C02 | C03 | sing | 1.51Å | 1.52Å | |
O04 | C03 | sing | 1.43Å | 1.39Å | |
O04 | C05 | sing | 1.36Å | 1.39Å | |
F11 | C10 | sing | 1.35Å | 1.36Å | |
C10 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H2 | sing | 1.08Å | 1.08Å | |
C02 | H3 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.08Å | 1.08Å | |
C08 | H8 | sing | 1.08Å | 1.08Å | |
C09 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 119.3° | 120.0° |
C02 | C01 | H1 | 120.0° | 120.0° |
C02 | C01 | H2 | 120.0° | 120.0° |
C01 | C02 | H3 | 120.3° | 120.0° |
C02 | C03 | O04 | 107.7° | 109.5° |
C03 | C02 | H3 | 120.3° | 120.0° |
C02 | C03 | H4 | 109.9° | 109.5° |
C02 | C03 | H5 | 109.9° | 109.4° |
C03 | O04 | C05 | 113.7° | 117.0° |
O04 | C03 | H4 | 109.9° | 109.5° |
O04 | C03 | H5 | 109.9° | 109.5° |
O04 | C05 | C10 | 117.9° | 120.1° |
O04 | C05 | C06 | 121.7° | 120.1° |
F11 | C10 | C05 | 118.3° | 120.0° |
F11 | C10 | C09 | 121.3° | 120.1° |
C05 | C10 | C09 | 120.4° | 119.9° |
C10 | C05 | C06 | 120.4° | 119.9° |
C10 | C09 | C08 | 119.5° | 120.1° |
C10 | C09 | H9 | 120.3° | 120.0° |
C05 | C06 | C07 | 119.8° | 120.0° |
C05 | C06 | H6 | 120.1° | 120.0° |
C09 | C08 | C07 | 120.4° | 120.1° |
C09 | C08 | H8 | 119.8° | 120.0° |
C08 | C09 | H9 | 120.3° | 119.9° |
C06 | C07 | C08 | 119.6° | 120.1° |
C07 | C06 | H6 | 120.1° | 120.0° |
C06 | C07 | H7 | 120.2° | 120.0° |
C08 | C07 | H7 | 120.2° | 119.9° |
C07 | C08 | H8 | 119.8° | 119.9° |
H1 | C01 | H2 | 120.0° | 120.0° |
H4 | C03 | H5 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | H3 | 180.0° | 179.9° |
C01 | C02 | C03 | O04 | 96.4° | 135.0° |
C02 | C01 | H1 | H2 | 180.0° | 180.0° |
C01 | C02 | C03 | H4 | 143.8° | 105.0° |
C01 | C02 | C03 | H5 | 23.3° | 15.0° |
C02 | C03 | O04 | H4 | 119.7° | 120.0° |
C02 | C03 | O04 | H5 | 119.8° | 120.0° |
C02 | C03 | O04 | C05 | 145.5° | 180.0° |
C03 | C02 | C01 | H1 | 0.0° | 0.0° |
C03 | C02 | C01 | H2 | 180.0° | 179.9° |
C02 | C03 | H4 | H5 | 120.8° | 119.9° |
C03 | O04 | C05 | C10 | 169.8° | 180.0° |
C03 | O04 | C05 | C06 | 10.7° | 0.0° |
O04 | C03 | C02 | H3 | 83.6° | 44.9° |
O04 | C03 | H4 | H5 | 120.8° | 120.0° |
O04 | C05 | C10 | F11 | 0.3° | 0.2° |
O04 | C05 | C10 | C06 | 179.6° | 180.0° |
O04 | C05 | C10 | C09 | 179.7° | 179.9° |
O04 | C05 | C06 | C07 | 179.8° | 180.0° |
C05 | O04 | C03 | H4 | 94.8° | 60.0° |
C05 | O04 | C03 | H5 | 25.7° | 60.0° |
O04 | C05 | C06 | H6 | 0.2° | 0.0° |
F11 | C10 | C05 | C09 | 180.0° | 179.8° |
F11 | C10 | C05 | C06 | 179.9° | 179.8° |
F11 | C10 | C09 | C08 | 179.9° | 179.7° |
F11 | C10 | C09 | H9 | 0.1° | 0.2° |
C05 | C10 | C09 | C08 | 0.1° | 0.1° |
C10 | C05 | C06 | C07 | 0.3° | 0.0° |
C10 | C05 | C06 | H6 | 179.8° | 180.0° |
C05 | C10 | C09 | H9 | 179.9° | 180.0° |
C09 | C10 | C05 | C06 | 0.2° | 0.1° |
C10 | C09 | C08 | H9 | 180.0° | 179.9° |
C10 | C09 | C08 | C07 | 0.3° | 0.0° |
C10 | C09 | C08 | H8 | 179.7° | 180.0° |
C05 | C06 | C07 | H6 | 180.0° | 180.0° |
C05 | C06 | C07 | C08 | 0.1° | 0.0° |
C05 | C06 | C07 | H7 | 179.9° | 180.0° |
C09 | C08 | C07 | C06 | 0.2° | 0.0° |
C09 | C08 | C07 | H8 | 180.0° | 180.0° |
C09 | C08 | C07 | H7 | 179.8° | 180.0° |
C06 | C07 | C08 | H7 | 180.0° | 180.0° |
C06 | C07 | C08 | H8 | 179.8° | 180.0° |
C08 | C07 | C06 | H6 | 179.9° | 180.0° |
C07 | C08 | C09 | H9 | 179.8° | 180.0° |
H1 | C01 | C02 | H3 | 180.0° | 179.9° |
H2 | C01 | C02 | H3 | 0.0° | 0.0° |
H3 | C02 | C03 | H4 | 36.2° | 75.1° |
H3 | C02 | C03 | H5 | 156.7° | 165.0° |
H6 | C06 | C07 | H7 | 0.1° | 0.0° |
H7 | C07 | C08 | H8 | 0.2° | 0.0° |
H8 | C08 | C09 | H9 | 0.3° | 0.1° |