P1W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C3 | sing | 1.51Å | 1.52Å | |
C3 | C4 | sing | 1.51Å | 1.53Å | |
C3 | C2 | doub | 1.31Å | 1.35Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.54Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H43 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C5 | H53 | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C3 | C4 | 114.0° | 120.0° |
C5 | C3 | C2 | 123.3° | 120.0° |
C3 | C5 | H51 | 109.5° | 109.5° |
C3 | C5 | H52 | 109.5° | 109.5° |
C3 | C5 | H53 | 109.5° | 109.5° |
C4 | C3 | C2 | 122.7° | 120.0° |
C3 | C4 | H43 | 109.5° | 109.5° |
C3 | C4 | H41 | 109.5° | 109.5° |
C3 | C4 | H42 | 109.4° | 109.5° |
C3 | C2 | C1 | 125.3° | 120.0° |
C3 | C2 | H2 | 117.3° | 120.0° |
C2 | C1 | O1 | 111.4° | 109.5° |
C2 | C1 | H12 | 109.0° | 109.5° |
C2 | C1 | H11 | 109.0° | 109.4° |
C1 | C2 | H2 | 117.4° | 120.0° |
O1 | C1 | H12 | 109.0° | 109.5° |
O1 | C1 | H11 | 109.0° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.0° |
H12 | C1 | H11 | 109.5° | 109.5° |
H43 | C4 | H41 | 109.5° | 109.5° |
H43 | C4 | H42 | 109.5° | 109.5° |
H41 | C4 | H42 | 109.5° | 109.5° |
H51 | C5 | H52 | 109.4° | 109.4° |
H51 | C5 | H53 | 109.5° | 109.5° |
H52 | C5 | H53 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C3 | C4 | C2 | 179.8° | 180.0° |
C5 | C3 | C2 | C1 | 1.0° | 174.3° |
C5 | C3 | C2 | H2 | 179.0° | 5.6° |
C5 | C3 | C4 | H43 | 180.0° | 95.0° |
C5 | C3 | C4 | H41 | 60.0° | 25.0° |
C5 | C3 | C4 | H42 | 60.0° | 145.0° |
C3 | C5 | H51 | H52 | 120.0° | 120.0° |
C3 | C5 | H51 | H53 | 120.0° | 120.0° |
C3 | C5 | H52 | H53 | 120.0° | 120.0° |
C4 | C3 | C2 | C1 | 179.2° | 5.7° |
C4 | C3 | C2 | H2 | 0.7° | 174.4° |
C3 | C4 | H43 | H41 | 120.0° | 120.0° |
C3 | C4 | H43 | H42 | 120.0° | 120.0° |
C3 | C4 | H41 | H42 | 120.0° | 120.0° |
C4 | C3 | C5 | H51 | 180.0° | 90.0° |
C4 | C3 | C5 | H52 | 60.0° | 150.0° |
C4 | C3 | C5 | H53 | 60.0° | 30.0° |
C3 | C2 | C1 | H2 | 180.0° | 179.9° |
C3 | C2 | C1 | O1 | 110.9° | 135.4° |
C3 | C2 | C1 | H12 | 128.8° | 15.3° |
C3 | C2 | C1 | H11 | 9.4° | 104.7° |
C2 | C3 | C4 | H43 | 0.2° | 85.0° |
C2 | C3 | C4 | H41 | 119.8° | 155.0° |
C2 | C3 | C4 | H42 | 120.2° | 35.0° |
C2 | C3 | C5 | H51 | 0.2° | 90.0° |
C2 | C3 | C5 | H52 | 120.2° | 30.0° |
C2 | C3 | C5 | H53 | 119.8° | 150.0° |
C2 | C1 | O1 | H12 | 120.3° | 120.0° |
C2 | C1 | O1 | H11 | 120.3° | 119.9° |
C2 | C1 | H12 | H11 | 119.1° | 119.9° |
C2 | C1 | O1 | H1 | 180.0° | 180.0° |
O1 | C1 | H12 | H11 | 119.1° | 120.1° |
O1 | C1 | C2 | H2 | 69.1° | 44.6° |
H12 | C1 | C2 | H2 | 51.2° | 164.6° |
H12 | C1 | O1 | H1 | 59.7° | 60.0° |
H11 | C1 | C2 | H2 | 170.6° | 75.4° |
H11 | C1 | O1 | H1 | 59.7° | 60.0° |
H43 | C4 | H41 | H42 | 120.0° | 120.0° |
H51 | C5 | H52 | H53 | 120.0° | 120.0° |