7JZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F2A | C2 | sing | 1.40Å | 1.33Å | |
C2 | F2B | sing | 1.40Å | 1.33Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F2A | C2 | F2B | 110.3° | 109.6° |
F2A | C2 | C1 | 107.2° | 109.5° |
F2A | C2 | C3 | 110.8° | 109.5° |
F2B | C2 | C1 | 109.2° | 109.5° |
F2B | C2 | C3 | 108.7° | 109.5° |
C1 | C2 | C3 | 110.6° | 109.2° |
C2 | C1 | O5 | 111.7° | 109.4° |
C2 | C1 | O1 | 108.7° | 109.5° |
C2 | C1 | H1 | 108.2° | 109.5° |
C2 | C3 | O3 | 112.3° | 109.5° |
C2 | C3 | C4 | 112.0° | 109.1° |
C2 | C3 | H3 | 105.8° | 109.5° |
O5 | C1 | O1 | 108.7° | 109.5° |
O5 | C1 | H1 | 108.2° | 109.5° |
C1 | O5 | C5 | 116.3° | 114.1° |
O1 | C1 | H1 | 111.3° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O3 | C3 | C4 | 109.8° | 109.5° |
O3 | C3 | H3 | 108.2° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 108.5° | 109.6° |
C3 | C4 | O4 | 110.1° | 109.5° |
C3 | C4 | C5 | 110.1° | 109.1° |
C3 | C4 | H4 | 109.2° | 109.6° |
O4 | C4 | C5 | 111.0° | 109.5° |
O4 | C4 | H4 | 108.2° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 108.3° | 109.6° |
C4 | C5 | O5 | 111.9° | 109.5° |
C4 | C5 | C6 | 112.2° | 109.5° |
C4 | C5 | H5 | 106.5° | 109.5° |
O5 | C5 | C6 | 111.4° | 109.5° |
O5 | C5 | H5 | 107.4° | 109.5° |
C6 | C5 | H5 | 107.1° | 109.4° |
C5 | C6 | O6 | 109.9° | 109.5° |
C5 | C6 | H61 | 109.4° | 109.5° |
C5 | C6 | H62 | 109.2° | 109.4° |
O6 | C6 | H61 | 109.3° | 109.5° |
O6 | C6 | H62 | 109.3° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F2A | C2 | F2B | C1 | 117.5° | 120.1° |
F2A | C2 | F2B | C3 | 121.7° | 120.2° |
F2A | C2 | C1 | C3 | 120.9° | 119.9° |
F2A | C2 | C1 | O5 | 148.2° | 62.3° |
F2A | C2 | C1 | O1 | 28.2° | 57.7° |
F2A | C2 | C1 | H1 | 92.8° | 177.7° |
F2A | C2 | C3 | O3 | 36.6° | 57.0° |
F2A | C2 | C3 | C4 | 87.5° | 62.9° |
F2A | C2 | C3 | H3 | 154.4° | 177.1° |
F2B | C2 | C1 | C3 | 119.6° | 119.9° |
F2B | C2 | C1 | O5 | 92.4° | 177.6° |
F2B | C2 | C1 | O1 | 147.6° | 62.5° |
F2B | C2 | C1 | H1 | 26.6° | 57.6° |
F2B | C2 | C3 | O3 | 84.7° | 63.2° |
F2B | C2 | C3 | C4 | 151.2° | 176.9° |
F2B | C2 | C3 | H3 | 33.1° | 56.9° |
C2 | C1 | O5 | O1 | 120.0° | 119.9° |
C2 | C1 | O5 | H1 | 119.0° | 120.0° |
C2 | C1 | O1 | H1 | 119.1° | 120.0° |
C1 | C2 | C3 | O3 | 155.4° | 176.9° |
C1 | C2 | C3 | C4 | 31.3° | 57.0° |
C1 | C2 | C3 | H3 | 86.8° | 63.0° |
C2 | C1 | O5 | C5 | 63.7° | 61.1° |
C2 | C1 | O1 | HO1 | 38.1° | 179.9° |
C3 | C2 | C1 | O5 | 27.2° | 57.7° |
C3 | C2 | C1 | O1 | 92.8° | 177.6° |
C3 | C2 | C1 | H1 | 146.2° | 62.3° |
C2 | C3 | O3 | C4 | 125.3° | 119.6° |
C2 | C3 | O3 | H3 | 116.4° | 120.2° |
C2 | C3 | C4 | H3 | 116.5° | 120.0° |
C2 | C3 | O3 | HO3 | 1.8° | 60.0° |
C2 | C3 | C4 | O4 | 62.0° | 62.9° |
C2 | C3 | C4 | C5 | 60.6° | 57.0° |
C2 | C3 | C4 | H4 | 179.3° | 176.9° |
O5 | C1 | O1 | H1 | 119.1° | 120.1° |
C1 | O5 | C5 | C4 | 32.7° | 61.1° |
C1 | O5 | C5 | C6 | 93.8° | 178.8° |
C1 | O5 | C5 | H5 | 149.2° | 58.9° |
O5 | C1 | O1 | HO1 | 159.9° | 60.2° |
O1 | C1 | O5 | C5 | 56.3° | 179.0° |
H1 | C1 | O5 | C5 | 177.3° | 58.9° |
H1 | C1 | O1 | HO1 | 81.0° | 59.9° |
O3 | C3 | C4 | H3 | 118.1° | 120.2° |
O3 | C3 | C4 | O4 | 63.5° | 57.0° |
O3 | C3 | C4 | C5 | 173.9° | 176.8° |
O3 | C3 | C4 | H4 | 55.2° | 63.2° |
C4 | C3 | O3 | HO3 | 127.1° | 179.5° |
C3 | C4 | O4 | C5 | 122.1° | 119.6° |
C3 | C4 | O4 | H4 | 119.3° | 120.2° |
C3 | C4 | C5 | H4 | 119.3° | 119.9° |
C3 | C4 | O4 | HO4 | 22.7° | 60.0° |
C3 | C4 | C5 | O5 | 28.2° | 57.6° |
C3 | C4 | C5 | C6 | 154.3° | 177.6° |
C3 | C4 | C5 | H5 | 88.8° | 62.4° |
H3 | C3 | O3 | HO3 | 114.6° | 60.2° |
H3 | C3 | C4 | O4 | 178.4° | 177.2° |
H3 | C3 | C4 | C5 | 55.8° | 63.0° |
H3 | C3 | C4 | H4 | 62.9° | 57.0° |
O4 | C4 | C5 | H4 | 118.6° | 120.2° |
O4 | C4 | C5 | O5 | 93.9° | 62.3° |
O4 | C4 | C5 | C6 | 32.2° | 57.7° |
O4 | C4 | C5 | H5 | 149.0° | 177.7° |
C5 | C4 | O4 | HO4 | 144.8° | 179.7° |
C4 | C5 | O5 | C6 | 126.5° | 120.0° |
C4 | C5 | O5 | H5 | 116.5° | 120.0° |
C4 | C5 | C6 | H5 | 116.5° | 120.0° |
C4 | C5 | C6 | O6 | 157.5° | 175.0° |
C4 | C5 | C6 | H61 | 37.4° | 54.9° |
C4 | C5 | C6 | H62 | 82.7° | 65.0° |
H4 | C4 | O4 | HO4 | 96.5° | 60.1° |
H4 | C4 | C5 | O5 | 147.5° | 177.5° |
H4 | C4 | C5 | C6 | 86.4° | 62.5° |
H4 | C4 | C5 | H5 | 30.4° | 57.5° |
O5 | C5 | C6 | H5 | 117.2° | 120.0° |
O5 | C5 | C6 | O6 | 76.2° | 65.0° |
O5 | C5 | C6 | H61 | 163.8° | 174.9° |
O5 | C5 | C6 | H62 | 43.6° | 55.0° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 119.8° | 119.9° |
C5 | C6 | H61 | H62 | 119.8° | 119.9° |
C5 | C6 | O6 | HO6 | 156.9° | 180.0° |
H5 | C5 | C6 | O6 | 40.9° | 55.0° |
H5 | C5 | C6 | H61 | 79.1° | 65.1° |
H5 | C5 | C6 | H62 | 160.8° | 175.0° |
O6 | C6 | H61 | H62 | 119.8° | 120.0° |
H61 | C6 | O6 | HO6 | 83.1° | 60.0° |
H62 | C6 | O6 | HO6 | 37.0° | 60.0° |