D1N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.36Å | 1.43Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C2 | C3 | doub | 1.39Å | 1.41Å | |
C2 | C1 | sing | 1.39Å | 1.39Å | |
C3 | C4 | sing | 1.40Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.08Å | |
C4 | C5 | doub | 1.40Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.08Å | |
C5 | C10 | sing | 1.42Å | 1.40Å | |
C5 | C6 | sing | 1.40Å | 1.39Å | |
C10 | C1 | doub | 1.40Å | 1.40Å | |
C10 | C9 | sing | 1.40Å | 1.41Å | |
C1 | O1 | sing | 1.37Å | 1.42Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C9 | C8 | doub | 1.39Å | 1.40Å | |
C9 | H9 | sing | 1.09Å | 1.08Å | |
C8 | C7 | sing | 1.39Å | 1.40Å | |
C8 | H8 | sing | 1.09Å | 1.08Å | |
C7 | C6 | doub | 1.40Å | 1.40Å | |
C7 | H7 | sing | 1.09Å | 1.08Å | |
C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O2 | HO2 | 109.5° | 110.2° |
O2 | C2 | C3 | 121.8° | 119.3° |
O2 | C2 | C1 | 117.4° | 120.6° |
C3 | C2 | C1 | 120.9° | 120.1° |
C2 | C3 | C4 | 118.3° | 120.0° |
C2 | C3 | H3 | 120.8° | 120.4° |
C2 | C1 | C10 | 120.9° | 120.7° |
C2 | C1 | O1 | 116.9° | 118.6° |
C4 | C3 | H3 | 120.8° | 119.6° |
C3 | C4 | C5 | 120.6° | 120.7° |
C3 | C4 | H4 | 119.7° | 118.8° |
C5 | C4 | H4 | 119.7° | 120.6° |
C4 | C5 | C10 | 120.5° | 119.3° |
C4 | C5 | C6 | 119.6° | 121.4° |
C10 | C5 | C6 | 119.9° | 119.3° |
C5 | C10 | C1 | 118.7° | 119.3° |
C5 | C10 | C9 | 121.3° | 119.3° |
C5 | C6 | C7 | 119.6° | 120.7° |
C5 | C6 | H6 | 120.2° | 120.5° |
C1 | C10 | C9 | 120.0° | 121.5° |
C10 | C1 | O1 | 122.2° | 120.8° |
C10 | C9 | C8 | 117.9° | 120.7° |
C10 | C9 | H9 | 121.1° | 121.1° |
C1 | O1 | HO1 | 109.5° | 109.9° |
C8 | C9 | H9 | 121.0° | 118.1° |
C9 | C8 | C7 | 120.9° | 120.0° |
C9 | C8 | H8 | 119.6° | 120.0° |
C7 | C8 | H8 | 119.6° | 120.0° |
C8 | C7 | C6 | 120.4° | 120.0° |
C8 | C7 | H7 | 119.8° | 120.0° |
C6 | C7 | H7 | 119.8° | 120.0° |
C7 | C6 | H6 | 120.2° | 118.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | C1 | 179.6° | 180.0° |
O2 | C2 | C3 | C4 | 179.4° | 179.9° |
O2 | C2 | C3 | H3 | 0.6° | 0.0° |
O2 | C2 | C1 | C10 | 180.0° | 180.0° |
O2 | C2 | C1 | O1 | 0.9° | 0.2° |
HO2 | O2 | C2 | C3 | 98.9° | 71.5° |
HO2 | O2 | C2 | C1 | 80.7° | 108.6° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 1.2° | 0.0° |
C2 | C3 | C4 | H4 | 178.8° | 180.0° |
C3 | C2 | C1 | C10 | 0.4° | 0.0° |
C3 | C2 | C1 | O1 | 179.5° | 179.9° |
C1 | C2 | C3 | C4 | 1.0° | 0.0° |
C1 | C2 | C3 | H3 | 179.0° | 179.9° |
C2 | C1 | C10 | C5 | 0.1° | 0.0° |
C2 | C1 | C10 | O1 | 179.0° | 179.9° |
C2 | C1 | C10 | C9 | 179.2° | 180.0° |
C2 | C1 | O1 | HO1 | 110.1° | 88.8° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C10 | 0.6° | 0.1° |
C3 | C4 | C5 | C6 | 179.9° | 180.0° |
H3 | C3 | C4 | C5 | 178.9° | 179.9° |
H3 | C3 | C4 | H4 | 1.2° | 0.1° |
C4 | C5 | C10 | C6 | 179.2° | 179.9° |
C4 | C5 | C10 | C1 | 0.0° | 0.1° |
C4 | C5 | C10 | C9 | 179.1° | 180.0° |
C4 | C5 | C6 | C7 | 179.7° | 180.0° |
C4 | C5 | C6 | H6 | 0.3° | 0.1° |
H4 | C4 | C5 | C10 | 179.4° | 180.0° |
H4 | C4 | C5 | C6 | 0.1° | 0.0° |
C5 | C10 | C1 | C9 | 179.1° | 179.9° |
C5 | C10 | C1 | O1 | 178.9° | 179.9° |
C5 | C10 | C9 | C8 | 0.3° | 0.1° |
C5 | C10 | C9 | H9 | 179.7° | 180.0° |
C10 | C5 | C6 | C7 | 0.5° | 0.1° |
C10 | C5 | C6 | H6 | 179.5° | 180.0° |
C6 | C5 | C10 | C1 | 179.2° | 180.0° |
C6 | C5 | C10 | C9 | 0.1° | 0.1° |
C5 | C6 | C7 | C8 | 1.0° | 0.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | H7 | 179.0° | 179.9° |
C10 | C1 | O1 | HO1 | 70.9° | 91.1° |
C1 | C10 | C9 | C8 | 179.3° | 180.0° |
C1 | C10 | C9 | H9 | 0.7° | 0.1° |
C9 | C10 | C1 | O1 | 0.2° | 0.2° |
C10 | C9 | C8 | H9 | 180.0° | 179.9° |
C10 | C9 | C8 | C7 | 0.2° | 0.1° |
C10 | C9 | C8 | H8 | 179.8° | 180.0° |
C9 | C8 | C7 | H8 | 180.0° | 179.9° |
C9 | C8 | C7 | C6 | 0.8° | 0.0° |
C9 | C8 | C7 | H7 | 179.2° | 179.9° |
H9 | C9 | C8 | C7 | 179.8° | 180.0° |
H9 | C9 | C8 | H8 | 0.2° | 0.1° |
C8 | C7 | C6 | H7 | 180.0° | 180.0° |
C8 | C7 | C6 | H6 | 179.0° | 180.0° |
H8 | C8 | C7 | C6 | 179.2° | 180.0° |
H8 | C8 | C7 | H7 | 0.8° | 0.0° |
H7 | C7 | C6 | H6 | 1.0° | 0.0° |