09V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.40Å | |
C1 | C2 | sing | 1.53Å | 1.47Å | |
C4 | C2 | sing | 1.53Å | 1.48Å | |
C4 | C3 | sing | 1.53Å | 1.48Å | |
C2 | C3 | sing | 1.53Å | 1.48Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 118.5° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.0° |
O1 | C1 | H2 | 107.2° | 109.4° |
O1 | C1 | H3 | 107.2° | 109.4° |
C1 | C2 | C4 | 108.3° | 117.5° |
C1 | C2 | C3 | 108.6° | 117.5° |
C2 | C1 | H2 | 107.1° | 109.5° |
C2 | C1 | H3 | 107.2° | 109.5° |
C1 | C2 | H4 | 121.6° | 115.6° |
C2 | C4 | C3 | 60.1° | 60.0° |
C4 | C2 | C3 | 60.1° | 60.0° |
C4 | C2 | H4 | 121.4° | 117.5° |
C2 | C4 | H7 | 120.0° | 117.4° |
C2 | C4 | H8 | 120.0° | 117.5° |
C4 | C3 | C2 | 59.8° | 60.0° |
C4 | C3 | H5 | 120.0° | 117.5° |
C4 | C3 | H6 | 120.0° | 117.6° |
C3 | C4 | H7 | 120.0° | 117.4° |
C3 | C4 | H8 | 120.0° | 117.5° |
C3 | C2 | H4 | 121.3° | 117.5° |
C2 | C3 | H5 | 120.0° | 117.5° |
C2 | C3 | H6 | 120.0° | 117.5° |
H2 | C1 | H3 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 115.6° |
H7 | C4 | H8 | 109.5° | 115.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H2 | 121.3° | 120.0° |
O1 | C1 | C2 | H3 | 121.3° | 119.9° |
O1 | C1 | C2 | C4 | 132.8° | 116.3° |
O1 | C1 | C2 | C3 | 163.5° | 175.0° |
O1 | C1 | H2 | H3 | 115.9° | 119.9° |
O1 | C1 | C2 | H4 | 15.2° | 29.4° |
C1 | C2 | C4 | C3 | 101.3° | 107.5° |
C1 | C2 | C4 | H4 | 148.1° | 145.1° |
C1 | C2 | C3 | H4 | 148.4° | 145.0° |
C2 | C1 | O1 | H1 | 180.0° | 180.0° |
C2 | C1 | H2 | H3 | 115.9° | 120.1° |
C1 | C2 | C3 | H5 | 8.5° | 145.0° |
C1 | C2 | C3 | H6 | 149.7° | 0.0° |
C1 | C2 | C4 | H7 | 8.1° | 0.0° |
C1 | C2 | C4 | H8 | 149.2° | 145.0° |
C2 | C4 | C3 | H7 | 109.5° | 107.4° |
C2 | C4 | C3 | H8 | 109.5° | 107.5° |
C4 | C2 | C3 | H4 | 110.7° | 107.5° |
C4 | C2 | C1 | H2 | 105.9° | 123.7° |
C4 | C2 | C1 | H3 | 11.5° | 3.6° |
C2 | C4 | C3 | H5 | 109.4° | 107.5° |
C2 | C4 | C3 | H6 | 109.4° | 107.5° |
C2 | C4 | H7 | H8 | 144.7° | 145.7° |
C4 | C3 | H5 | H6 | 144.9° | 145.7° |
C3 | C4 | H7 | H8 | 144.7° | 145.7° |
C3 | C2 | C1 | H2 | 42.2° | 55.0° |
C3 | C2 | C1 | H3 | 75.2° | 65.1° |
C2 | C3 | H5 | H6 | 144.8° | 145.7° |
H1 | O1 | C1 | H2 | 58.7° | 60.0° |
H1 | O1 | C1 | H3 | 58.7° | 60.0° |
H2 | C1 | C2 | H4 | 106.1° | 90.6° |
H3 | C1 | C2 | H4 | 136.5° | 149.3° |
H4 | C2 | C3 | H5 | 139.9° | 0.0° |
H4 | C2 | C3 | H6 | 1.3° | 145.0° |
H4 | C2 | C4 | H7 | 139.9° | 145.1° |
H4 | C2 | C4 | H8 | 1.1° | 0.0° |
H5 | C3 | C4 | H7 | 0.1° | 145.0° |
H5 | C3 | C4 | H8 | 141.1° | 0.0° |
H6 | C3 | C4 | H7 | 141.1° | 0.0° |
H6 | C3 | C4 | H8 | 0.1° | 145.0° |