FW5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | sing | 1.43Å | 1.40Å | |
O | C1 | sing | 1.43Å | 1.42Å | |
O1 | C2 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C3 | O2 | sing | 1.43Å | 1.41Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
O1 | H9 | sing | 0.97Å | 0.95Å | |
O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | O | C1 | 112.5° | 114.0° |
O | C | H1 | 109.5° | 109.4° |
O | C | H2 | 109.5° | 109.5° |
O | C | H3 | 109.5° | 109.5° |
O | C1 | C2 | 107.4° | 109.5° |
O | C1 | H4 | 110.0° | 109.5° |
O | C1 | H5 | 110.0° | 109.5° |
O1 | C2 | C1 | 106.9° | 109.5° |
O1 | C2 | C3 | 108.7° | 109.5° |
O1 | C2 | H6 | 110.0° | 109.4° |
C2 | O1 | H9 | 109.5° | 114.0° |
C1 | C2 | C3 | 113.7° | 109.5° |
C2 | C1 | H4 | 110.0° | 109.5° |
C2 | C1 | H5 | 110.0° | 109.5° |
C1 | C2 | H6 | 108.8° | 109.5° |
C2 | C3 | O2 | 111.3° | 109.5° |
C3 | C2 | H6 | 108.7° | 109.5° |
C2 | C3 | H7 | 109.0° | 109.5° |
C2 | C3 | H8 | 109.0° | 109.5° |
O2 | C3 | H7 | 109.0° | 109.5° |
O2 | C3 | H8 | 109.0° | 109.4° |
C3 | O2 | H10 | 109.5° | 114.1° |
H1 | C | H2 | 109.4° | 109.5° |
H1 | C | H3 | 109.5° | 109.4° |
H2 | C | H3 | 109.5° | 109.5° |
H4 | C1 | H5 | 109.5° | 109.4° |
H7 | C3 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | O | C1 | C2 | 150.9° | 180.0° |
O | C | H1 | H2 | 120.0° | 120.1° |
O | C | H1 | H3 | 120.0° | 120.0° |
O | C | H2 | H3 | 120.0° | 120.1° |
C | O | C1 | H4 | 89.4° | 60.0° |
C | O | C1 | H5 | 31.2° | 60.0° |
O | C1 | C2 | O1 | 64.9° | 65.0° |
O | C1 | C2 | H4 | 119.7° | 120.0° |
O | C1 | C2 | H5 | 119.7° | 120.0° |
O | C1 | C2 | C3 | 175.2° | 175.0° |
C1 | O | C | H1 | 180.0° | 60.0° |
C1 | O | C | H2 | 60.0° | 60.0° |
C1 | O | C | H3 | 60.0° | 180.0° |
O | C1 | H4 | H5 | 120.9° | 120.0° |
O | C1 | C2 | H6 | 53.9° | 55.0° |
O1 | C2 | C1 | C3 | 119.9° | 120.0° |
O1 | C2 | C1 | H6 | 118.8° | 119.9° |
O1 | C2 | C3 | H6 | 119.8° | 119.9° |
O1 | C2 | C3 | O2 | 178.4° | 65.0° |
O1 | C2 | C1 | H4 | 54.8° | 55.0° |
O1 | C2 | C1 | H5 | 175.4° | 175.0° |
O1 | C2 | C3 | H7 | 58.1° | 55.0° |
O1 | C2 | C3 | H8 | 61.3° | 175.0° |
C1 | C2 | C3 | H6 | 121.4° | 120.0° |
C1 | C2 | C3 | O2 | 62.7° | 175.0° |
C2 | C1 | H4 | H5 | 121.0° | 120.0° |
C1 | C2 | C3 | H7 | 177.0° | 65.0° |
C1 | C2 | C3 | H8 | 57.6° | 55.0° |
C1 | C2 | O1 | H9 | 180.0° | 60.0° |
C2 | C3 | O2 | H7 | 120.3° | 120.0° |
C2 | C3 | O2 | H8 | 120.3° | 120.0° |
C3 | C2 | C1 | H4 | 65.1° | 65.0° |
C3 | C2 | C1 | H5 | 55.5° | 55.0° |
C2 | C3 | H7 | H8 | 119.1° | 120.0° |
C3 | C2 | O1 | H9 | 56.9° | 60.0° |
C2 | C3 | O2 | H10 | 180.0° | 180.0° |
O2 | C3 | C2 | H6 | 58.7° | 54.9° |
O2 | C3 | H7 | H8 | 119.2° | 120.0° |
H1 | C | H2 | H3 | 120.0° | 119.9° |
H4 | C1 | C2 | H6 | 173.5° | 175.0° |
H5 | C1 | C2 | H6 | 65.8° | 65.1° |
H6 | C2 | C3 | H7 | 61.6° | 175.0° |
H6 | C2 | C3 | H8 | 178.9° | 65.0° |
H6 | C2 | O1 | H9 | 62.0° | 180.0° |
H7 | C3 | O2 | H10 | 59.7° | 60.0° |
H8 | C3 | O2 | H10 | 59.7° | 60.0° |