5FX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.51Å | 1.55Å | |
C2 | O2 | doub | 1.21Å | 1.21Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | F | sing | 1.40Å | 1.41Å | |
C1 | H11C | sing | 1.09Å | 1.10Å | |
C1 | H12C | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HA | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HB | sing | 0.97Å | 0.95Å | |
C5 | H51C | sing | 1.09Å | 1.10Å | |
C5 | H52C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 110.5° | 109.5° |
O1 | C1 | H11C | 109.2° | 109.5° |
O1 | C1 | H12C | 109.2° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.1° |
C1 | C2 | O2 | 121.9° | 120.0° |
C1 | C2 | C3 | 118.0° | 120.0° |
C2 | C1 | H11C | 109.2° | 109.5° |
C2 | C1 | H12C | 109.2° | 109.5° |
O2 | C2 | C3 | 120.1° | 120.0° |
C2 | C3 | O3 | 114.2° | 109.4° |
C2 | C3 | C4 | 110.6° | 109.5° |
C2 | C3 | H3 | 105.3° | 109.5° |
O3 | C3 | C4 | 114.0° | 109.5° |
O3 | C3 | H3 | 106.6° | 109.5° |
C3 | O3 | HA | 109.5° | 114.0° |
C3 | C4 | O4 | 110.8° | 109.5° |
C3 | C4 | C5 | 111.8° | 109.4° |
C4 | C3 | H3 | 105.2° | 109.5° |
C3 | C4 | H4 | 107.7° | 109.5° |
O4 | C4 | C5 | 109.5° | 109.5° |
O4 | C4 | H4 | 109.1° | 109.5° |
C4 | O4 | HB | 109.5° | 114.0° |
C4 | C5 | F | 103.9° | 109.5° |
C5 | C4 | H4 | 107.8° | 109.5° |
C4 | C5 | H51C | 110.8° | 109.5° |
C4 | C5 | H52C | 110.8° | 109.5° |
F | C5 | H51C | 110.8° | 109.5° |
F | C5 | H52C | 110.8° | 109.4° |
H11C | C1 | H12C | 109.4° | 109.4° |
H51C | C5 | H52C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H11C | 120.2° | 120.0° |
O1 | C1 | C2 | H12C | 120.2° | 120.1° |
O1 | C1 | C2 | O2 | 7.7° | 0.0° |
O1 | C1 | C2 | C3 | 174.5° | 180.0° |
O1 | C1 | H11C | H12C | 119.5° | 120.0° |
C1 | C2 | O2 | C3 | 177.8° | 180.0° |
C1 | C2 | C3 | O3 | 10.8° | 165.0° |
C1 | C2 | C3 | C4 | 119.4° | 75.0° |
C2 | C1 | H11C | H12C | 119.5° | 120.0° |
C2 | C1 | O1 | H1 | 3.3° | 180.0° |
C1 | C2 | C3 | H3 | 127.4° | 45.0° |
O2 | C2 | C3 | O3 | 171.3° | 15.0° |
O2 | C2 | C3 | C4 | 58.5° | 105.0° |
O2 | C2 | C1 | H11C | 127.8° | 120.1° |
O2 | C2 | C1 | H12C | 112.5° | 120.0° |
O2 | C2 | C3 | H3 | 54.7° | 134.9° |
C2 | C3 | O3 | C4 | 128.5° | 120.0° |
C2 | C3 | O3 | H3 | 115.9° | 120.0° |
C2 | C3 | C4 | H3 | 113.3° | 120.0° |
C2 | C3 | C4 | O4 | 65.8° | 55.0° |
C2 | C3 | C4 | C5 | 171.7° | 175.0° |
C3 | C2 | C1 | H11C | 54.3° | 60.0° |
C3 | C2 | C1 | H12C | 65.3° | 59.9° |
C2 | C3 | O3 | HA | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 53.4° | 65.0° |
O3 | C3 | C4 | H3 | 116.4° | 120.0° |
O3 | C3 | C4 | O4 | 64.5° | 65.0° |
O3 | C3 | C4 | C5 | 58.0° | 55.0° |
O3 | C3 | C4 | H4 | 176.3° | 175.0° |
C3 | C4 | O4 | C5 | 123.8° | 120.0° |
C3 | C4 | O4 | H4 | 118.4° | 120.0° |
C3 | C4 | C5 | H4 | 118.2° | 120.0° |
C3 | C4 | C5 | F | 169.1° | 175.0° |
C4 | C3 | O3 | HA | 51.5° | 60.0° |
C3 | C4 | O4 | HB | 180.0° | 60.0° |
C3 | C4 | C5 | H51C | 50.0° | 55.0° |
C3 | C4 | C5 | H52C | 71.7° | 65.0° |
O4 | C4 | C5 | H4 | 118.6° | 120.0° |
O4 | C4 | C5 | F | 67.6° | 65.0° |
O4 | C4 | C3 | H3 | 179.1° | 175.0° |
O4 | C4 | C5 | H51C | 173.3° | 175.0° |
O4 | C4 | C5 | H52C | 51.5° | 55.0° |
C4 | C5 | F | H51C | 119.1° | 120.0° |
C4 | C5 | F | H52C | 119.1° | 120.0° |
C5 | C4 | C3 | H3 | 58.4° | 65.0° |
C5 | C4 | O4 | HB | 56.1° | 60.0° |
C4 | C5 | H51C | H52C | 122.6° | 120.0° |
F | C5 | C4 | H4 | 51.0° | 55.0° |
F | C5 | H51C | H52C | 122.6° | 120.0° |
H11C | C1 | O1 | H1 | 123.5° | 60.0° |
H12C | C1 | O1 | H1 | 116.9° | 59.9° |
H3 | C3 | O3 | HA | 64.1° | 179.9° |
H3 | C3 | C4 | H4 | 59.9° | 55.0° |
H4 | C4 | O4 | HB | 61.7° | 180.0° |
H4 | C4 | C5 | H51C | 68.1° | 65.0° |
H4 | C4 | C5 | H52C | 170.1° | 175.0° |