BUO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | sing | 1.51Å | 1.50Å | |
O2 | C2 | doub | 1.21Å | 1.22Å | |
C2 | C1 | sing | 1.49Å | 1.47Å | |
O1 | C1 | doub | 1.21Å | 1.23Å | |
C1 | C4 | sing | 1.51Å | 1.54Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | O2 | 125.7° | 120.0° |
C3 | C2 | C1 | 117.5° | 120.0° |
C2 | C3 | H4 | 109.5° | 109.5° |
C2 | C3 | H5 | 109.5° | 109.4° |
C2 | C3 | H6 | 109.5° | 109.5° |
O2 | C2 | C1 | 116.8° | 119.9° |
C2 | C1 | O1 | 120.2° | 119.9° |
C2 | C1 | C4 | 112.0° | 120.0° |
O1 | C1 | C4 | 127.7° | 120.0° |
C1 | C4 | H1 | 109.5° | 109.5° |
C1 | C4 | H2 | 109.5° | 109.5° |
C1 | C4 | H3 | 109.5° | 109.5° |
H1 | C4 | H2 | 109.5° | 109.5° |
H1 | C4 | H3 | 109.5° | 109.5° |
H2 | C4 | H3 | 109.5° | 109.4° |
H4 | C3 | H5 | 109.4° | 109.5° |
H4 | C3 | H6 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | O2 | C1 | 179.2° | 179.9° |
C3 | C2 | C1 | O1 | 33.1° | 0.0° |
C3 | C2 | C1 | C4 | 149.7° | 179.7° |
C2 | C3 | H4 | H5 | 120.0° | 120.0° |
C2 | C3 | H4 | H6 | 120.0° | 120.1° |
C2 | C3 | H5 | H6 | 120.0° | 120.0° |
O2 | C2 | C1 | O1 | 146.2° | 179.9° |
O2 | C2 | C1 | C4 | 31.0° | 0.2° |
O2 | C2 | C3 | H4 | 0.0° | 180.0° |
O2 | C2 | C3 | H5 | 120.0° | 60.1° |
O2 | C2 | C3 | H6 | 120.0° | 59.9° |
C2 | C1 | O1 | C4 | 176.7° | 179.7° |
C2 | C1 | C4 | H1 | 176.9° | 89.7° |
C2 | C1 | C4 | H2 | 63.0° | 30.3° |
C2 | C1 | C4 | H3 | 56.9° | 150.2° |
C1 | C2 | C3 | H4 | 179.2° | 0.1° |
C1 | C2 | C3 | H5 | 60.8° | 120.0° |
C1 | C2 | C3 | H6 | 59.2° | 120.0° |
O1 | C1 | C4 | H1 | 0.0° | 90.0° |
O1 | C1 | C4 | H2 | 120.0° | 150.0° |
O1 | C1 | C4 | H3 | 120.0° | 30.0° |
C1 | C4 | H1 | H2 | 120.0° | 120.0° |
C1 | C4 | H1 | H3 | 120.0° | 120.0° |
C1 | C4 | H2 | H3 | 120.0° | 120.0° |
H1 | C4 | H2 | H3 | 120.0° | 120.0° |
H4 | C3 | H5 | H6 | 120.0° | 120.0° |