1MI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C4 | sing | 1.43Å | 1.43Å | |
O | C2 | sing | 1.43Å | 1.44Å | |
C2 | C | sing | 1.53Å | 1.52Å | |
C1 | C4 | sing | 1.53Å | 1.54Å | |
C1 | C | sing | 1.53Å | 1.53Å | |
O1 | C3 | sing | 1.43Å | 1.43Å | |
C3 | C | sing | 1.53Å | 1.54Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | 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 | |
O2 | H9 | sing | 0.97Å | 0.95Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
O1 | H11 | sing | 0.97Å | 0.95Å | |
O | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C4 | C1 | 115.8° | 109.5° |
O2 | C4 | H7 | 107.9° | 109.5° |
O2 | C4 | H8 | 107.9° | 109.4° |
C4 | O2 | H9 | 109.5° | 114.0° |
O | C2 | C | 110.8° | 109.4° |
O | C2 | H3 | 109.1° | 109.5° |
O | C2 | H4 | 109.1° | 109.5° |
C2 | O | H12 | 109.5° | 113.9° |
C2 | C | C1 | 109.3° | 109.4° |
C2 | C | C3 | 110.2° | 109.5° |
C | C2 | H3 | 109.1° | 109.5° |
C | C2 | H4 | 109.1° | 109.5° |
C2 | C | H10 | 108.1° | 109.5° |
C4 | C1 | C | 116.3° | 109.5° |
C4 | C1 | H1 | 107.7° | 109.5° |
C4 | C1 | H2 | 107.7° | 109.5° |
C1 | C4 | H7 | 107.9° | 109.5° |
C1 | C4 | H8 | 107.9° | 109.5° |
C1 | C | C3 | 113.1° | 109.5° |
C | C1 | H1 | 107.7° | 109.5° |
C | C1 | H2 | 107.7° | 109.4° |
C1 | C | H10 | 108.1° | 109.5° |
O1 | C3 | C | 114.6° | 109.5° |
O1 | C3 | H5 | 108.2° | 109.5° |
O1 | C3 | H6 | 108.2° | 109.5° |
C3 | O1 | H11 | 109.5° | 114.0° |
C | C3 | H5 | 108.1° | 109.5° |
C | C3 | H6 | 108.2° | 109.5° |
C3 | C | H10 | 107.9° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H3 | C2 | H4 | 109.5° | 109.4° |
H5 | C3 | H6 | 109.4° | 109.5° |
H7 | C4 | H8 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C4 | C1 | H7 | 120.9° | 120.1° |
O2 | C4 | C1 | H8 | 120.9° | 120.0° |
O2 | C4 | C1 | C | 116.2° | 174.7° |
O2 | C4 | C1 | H1 | 4.8° | 65.2° |
O2 | C4 | C1 | H2 | 122.8° | 54.8° |
O2 | C4 | H7 | H8 | 117.2° | 120.0° |
O | C2 | C | H3 | 120.2° | 120.0° |
O | C2 | C | H4 | 120.2° | 120.1° |
O | C2 | C | C1 | 40.9° | 175.0° |
O | C2 | C | C3 | 165.8° | 65.0° |
O | C2 | H3 | H4 | 119.4° | 120.1° |
O | C2 | C | H10 | 76.5° | 55.0° |
C2 | C | C1 | C4 | 154.8° | 65.7° |
C2 | C | C1 | C3 | 123.2° | 120.0° |
C2 | C | C1 | H10 | 117.5° | 120.0° |
C2 | C | C3 | O1 | 24.2° | 175.1° |
C2 | C | C3 | H10 | 117.9° | 120.0° |
C2 | C | C1 | H1 | 33.8° | 54.3° |
C2 | C | C1 | H2 | 84.2° | 174.3° |
C | C2 | H3 | H4 | 119.4° | 120.0° |
C2 | C | C3 | H5 | 96.6° | 55.2° |
C2 | C | C3 | H6 | 145.0° | 64.8° |
C | C2 | O | H12 | 180.0° | 180.0° |
C4 | C1 | C | H1 | 121.0° | 120.0° |
C4 | C1 | C | H2 | 121.0° | 120.0° |
C4 | C1 | C | C3 | 31.6° | 174.4° |
C4 | C1 | H1 | H2 | 116.9° | 120.0° |
C1 | C4 | H7 | H8 | 117.1° | 120.0° |
C1 | C4 | O2 | H9 | 180.0° | 180.0° |
C4 | C1 | C | H10 | 87.8° | 54.3° |
C1 | C | C3 | O1 | 146.9° | 64.9° |
C1 | C | C3 | H10 | 119.5° | 120.0° |
C | C1 | H1 | H2 | 116.9° | 119.9° |
C1 | C | C2 | H3 | 79.3° | 55.0° |
C1 | C | C2 | H4 | 161.1° | 65.0° |
C1 | C | C3 | H5 | 26.1° | 175.1° |
C1 | C | C3 | H6 | 92.3° | 55.1° |
C | C1 | C4 | H7 | 122.9° | 65.2° |
C | C1 | C4 | H8 | 4.7° | 54.8° |
O1 | C3 | C | H5 | 120.8° | 120.0° |
O1 | C3 | C | H6 | 120.8° | 120.0° |
O1 | C3 | H5 | H6 | 117.6° | 120.0° |
O1 | C3 | C | H10 | 93.6° | 55.1° |
C3 | C | C1 | H1 | 89.4° | 65.6° |
C3 | C | C1 | H2 | 152.6° | 54.4° |
C3 | C | C2 | H3 | 45.6° | 175.0° |
C3 | C | C2 | H4 | 74.0° | 55.0° |
C | C3 | H5 | H6 | 117.6° | 120.0° |
C | C3 | O1 | H11 | 180.0° | 180.0° |
H1 | C1 | C4 | H7 | 116.2° | 54.8° |
H1 | C1 | C4 | H8 | 125.7° | 174.8° |
H1 | C1 | C | H10 | 151.3° | 174.3° |
H2 | C1 | C4 | H7 | 1.9° | 174.9° |
H2 | C1 | C4 | H8 | 116.2° | 65.2° |
H2 | C1 | C | H10 | 33.2° | 65.7° |
H3 | C2 | C | H10 | 163.3° | 65.0° |
H3 | C2 | O | H12 | 59.8° | 60.0° |
H4 | C2 | C | H10 | 43.7° | 175.1° |
H4 | C2 | O | H12 | 59.8° | 60.0° |
H5 | C3 | C | H10 | 145.6° | 64.8° |
H5 | C3 | O1 | H11 | 59.2° | 60.0° |
H6 | C3 | C | H10 | 27.1° | 175.2° |
H6 | C3 | O1 | H11 | 59.2° | 60.0° |
H7 | C4 | O2 | H9 | 59.1° | 60.0° |
H8 | C4 | O2 | H9 | 59.1° | 60.0° |