2FO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.25Å | |
O4 | C6 | doub | 1.22Å | 1.28Å | |
C4 | C3 | sing | 1.40Å | 1.35Å | |
C4 | C5 | doub | 1.35Å | 1.47Å | |
O | C1 | sing | 1.35Å | 1.27Å | |
C1 | C | sing | 1.49Å | 1.49Å | |
C3 | C2 | doub | 1.39Å | 1.49Å | |
C5 | O2 | sing | 1.35Å | 1.23Å | |
C6 | C2 | sing | 1.46Å | 1.50Å | |
C6 | O3 | sing | 1.35Å | 1.26Å | |
C2 | C | sing | 1.47Å | 1.35Å | |
C | N | doub | 1.30Å | 1.43Å | |
O3 | H1 | sing | 0.97Å | 0.95Å | |
O | H4 | sing | 0.97Å | 0.95Å | |
N | H5 | sing | 0.97Å | 1.00Å | |
C3 | H8 | sing | 1.08Å | 1.08Å | |
C4 | H10 | sing | 1.08Å | 1.08Å | |
C5 | H12 | sing | 1.08Å | 1.08Å | |
O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O | 118.8° | 120.0° |
O1 | C1 | C | 115.3° | 120.0° |
O4 | C6 | C2 | 121.5° | 120.0° |
O4 | C6 | O3 | 120.3° | 120.0° |
C3 | C4 | C5 | 115.6° | 120.0° |
C4 | C3 | C2 | 124.5° | 120.0° |
C4 | C3 | H8 | 117.7° | 120.0° |
C3 | C4 | H10 | 122.2° | 120.0° |
C4 | C5 | O2 | 120.3° | 120.0° |
C5 | C4 | H10 | 122.2° | 120.0° |
C4 | C5 | H12 | 119.9° | 120.0° |
O | C1 | C | 125.9° | 120.0° |
C1 | O | H4 | 109.5° | 117.0° |
C1 | C | C2 | 115.0° | 120.0° |
C1 | C | N | 121.6° | 120.0° |
C3 | C2 | C6 | 120.6° | 120.0° |
C3 | C2 | C | 112.0° | 120.0° |
C2 | C3 | H8 | 117.7° | 120.0° |
O2 | C5 | H12 | 119.8° | 120.0° |
C5 | O2 | H2 | 109.5° | 117.0° |
C2 | C6 | O3 | 118.1° | 120.0° |
C6 | C2 | C | 111.9° | 120.0° |
C6 | O3 | H1 | 109.5° | 117.0° |
C2 | C | N | 122.1° | 120.0° |
C | N | H5 | 112.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O | C | 177.4° | 180.0° |
O1 | C1 | C | C2 | 46.5° | 5.1° |
O1 | C1 | C | N | 120.2° | 174.9° |
O1 | C1 | O | H4 | 0.0° | 0.1° |
O4 | C6 | C2 | C3 | 31.9° | 3.8° |
O4 | C6 | C2 | O3 | 176.9° | 180.0° |
O4 | C6 | C2 | C | 103.1° | 176.3° |
O4 | C6 | O3 | H1 | 0.0° | 0.0° |
C3 | C4 | C5 | H10 | 180.0° | 180.0° |
C4 | C3 | C2 | H8 | 180.0° | 180.0° |
C3 | C4 | C5 | O2 | 60.0° | 0.0° |
C4 | C3 | C2 | C6 | 35.4° | 8.8° |
C4 | C3 | C2 | C | 170.4° | 171.2° |
C3 | C4 | C5 | H12 | 120.0° | 180.0° |
C5 | C4 | C3 | C2 | 97.5° | 174.1° |
C4 | C5 | O2 | H12 | 180.0° | 180.0° |
C5 | C4 | C3 | H8 | 82.5° | 5.9° |
C4 | C5 | O2 | H2 | 180.0° | 180.0° |
O | C1 | C | C2 | 136.1° | 175.0° |
O | C1 | C | N | 57.3° | 5.1° |
C1 | C | C2 | C3 | 75.8° | 105.3° |
C1 | C | C2 | C6 | 63.1° | 74.7° |
C1 | C | C2 | N | 166.6° | 180.0° |
C | C1 | O | H4 | 177.3° | 180.0° |
C1 | C | N | H5 | 165.7° | 175.0° |
C3 | C2 | C6 | C | 135.0° | 179.9° |
C3 | C2 | C6 | O3 | 151.2° | 176.2° |
C3 | C2 | C | N | 90.8° | 74.7° |
C2 | C3 | C4 | H10 | 82.6° | 5.9° |
O2 | C5 | C4 | H10 | 120.0° | 180.0° |
C6 | C2 | C | N | 130.3° | 105.4° |
C2 | C6 | O3 | H1 | 176.9° | 180.0° |
C6 | C2 | C3 | H8 | 144.5° | 171.2° |
O3 | C6 | C2 | C | 73.8° | 3.7° |
C2 | C | N | H5 | 0.0° | 5.0° |
C | C2 | C3 | H8 | 9.6° | 8.8° |
H8 | C3 | C4 | H10 | 97.4° | 174.1° |
H10 | C4 | C5 | H12 | 60.0° | 0.0° |
H12 | C5 | O2 | H2 | 0.0° | 0.0° |