CYX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.46Å | 1.55Å | |
C1 | O3 | doub | 1.21Å | 1.24Å | |
C1 | H11 | sing | 1.08Å | 1.10Å | |
C2 | C4 | doub | 1.33Å | 1.35Å | |
C2 | C5 | sing | 1.51Å | 1.54Å | |
C4 | H41 | sing | 1.08Å | 1.10Å | |
C4 | H42 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | P7 | sing | 1.82Å | 1.75Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
P7 | O8 | sing | 1.61Å | 1.60Å | |
P7 | O9 | sing | 1.61Å | 1.61Å | |
P7 | O10 | doub | 1.48Å | 1.61Å | |
O8 | H81 | sing | 0.97Å | 0.95Å | |
O9 | H91 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O3 | 122.3° | 120.0° |
C2 | C1 | H11 | 130.5° | 120.0° |
C1 | C2 | C4 | 122.4° | 120.0° |
C1 | C2 | C5 | 118.7° | 120.0° |
O3 | C1 | H11 | 107.2° | 120.0° |
C4 | C2 | C5 | 118.9° | 120.0° |
C2 | C4 | H41 | 118.9° | 120.0° |
C2 | C4 | H42 | 122.4° | 120.1° |
C2 | C5 | C6 | 113.1° | 109.5° |
C2 | C5 | H51 | 110.9° | 109.4° |
C2 | C5 | H52 | 110.9° | 109.5° |
H41 | C4 | H42 | 118.7° | 120.0° |
C6 | C5 | H51 | 110.8° | 109.5° |
C6 | C5 | H52 | 110.9° | 109.5° |
C5 | C6 | P7 | 116.0° | 109.5° |
C5 | C6 | H61 | 109.9° | 109.5° |
C5 | C6 | H62 | 109.8° | 109.5° |
H51 | C5 | H52 | 99.5° | 109.5° |
P7 | C6 | H61 | 109.9° | 109.5° |
P7 | C6 | H62 | 109.9° | 109.5° |
C6 | P7 | O8 | 109.0° | 109.5° |
C6 | P7 | O9 | 109.0° | 109.5° |
C6 | P7 | O10 | 109.9° | 109.5° |
H61 | C6 | H62 | 100.3° | 109.4° |
O8 | P7 | O9 | 109.8° | 109.4° |
O8 | P7 | O10 | 109.8° | 109.5° |
P7 | O8 | H81 | 109.1° | 106.8° |
O9 | P7 | O10 | 109.4° | 109.5° |
P7 | O9 | H91 | 109.0° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O3 | H11 | 180.0° | 179.9° |
C1 | C2 | C4 | C5 | 179.7° | 180.0° |
C1 | C2 | C4 | H41 | 0.3° | 0.1° |
C1 | C2 | C4 | H42 | 180.0° | 179.9° |
C1 | C2 | C5 | C6 | 48.6° | 90.0° |
C1 | C2 | C5 | H51 | 76.6° | 150.0° |
C1 | C2 | C5 | H52 | 173.9° | 30.0° |
O3 | C1 | C2 | C4 | 111.5° | 180.0° |
O3 | C1 | C2 | C5 | 68.8° | 0.1° |
H11 | C1 | C2 | C4 | 68.5° | 0.1° |
H11 | C1 | C2 | C5 | 111.2° | 180.0° |
C2 | C4 | H41 | H42 | 179.8° | 180.0° |
C4 | C2 | C5 | C6 | 131.7° | 90.0° |
C4 | C2 | C5 | H51 | 103.1° | 30.0° |
C4 | C2 | C5 | H52 | 6.4° | 149.9° |
C5 | C2 | C4 | H41 | 180.0° | 180.0° |
C5 | C2 | C4 | H42 | 0.2° | 0.0° |
C2 | C5 | C6 | H51 | 125.2° | 120.0° |
C2 | C5 | C6 | H52 | 125.2° | 120.0° |
C2 | C5 | H51 | H52 | 116.7° | 119.9° |
C2 | C5 | C6 | P7 | 156.4° | 180.0° |
C2 | C5 | C6 | H61 | 31.1° | 60.0° |
C2 | C5 | C6 | H62 | 78.3° | 60.0° |
C6 | C5 | H51 | H52 | 116.8° | 120.0° |
C5 | C6 | P7 | H61 | 125.3° | 120.1° |
C5 | C6 | P7 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 115.6° | 120.0° |
C5 | C6 | P7 | O8 | 143.7° | 180.0° |
C5 | C6 | P7 | O9 | 96.5° | 60.1° |
C5 | C6 | P7 | O10 | 23.3° | 60.0° |
H51 | C5 | C6 | P7 | 78.4° | 60.0° |
H51 | C5 | C6 | H61 | 156.3° | 179.9° |
H51 | C5 | C6 | H62 | 47.0° | 60.0° |
H52 | C5 | C6 | P7 | 31.1° | 60.0° |
H52 | C5 | C6 | H61 | 94.1° | 60.0° |
H52 | C5 | C6 | H62 | 156.5° | 180.0° |
P7 | C6 | H61 | H62 | 115.7° | 119.9° |
C6 | P7 | O8 | O9 | 119.4° | 120.0° |
C6 | P7 | O8 | O10 | 120.4° | 120.0° |
C6 | P7 | O9 | O10 | 120.1° | 120.1° |
C6 | P7 | O8 | H81 | 180.0° | 180.0° |
C6 | P7 | O9 | H91 | 179.9° | 60.0° |
H61 | C6 | P7 | O8 | 91.0° | 59.9° |
H61 | C6 | P7 | O9 | 28.8° | 179.9° |
H61 | C6 | P7 | O10 | 148.6° | 60.0° |
H62 | C6 | P7 | O8 | 18.4° | 59.9° |
H62 | C6 | P7 | O9 | 138.2° | 60.0° |
H62 | C6 | P7 | O10 | 102.0° | 179.9° |
O8 | P7 | O9 | O10 | 120.5° | 120.0° |
O8 | P7 | O9 | H91 | 60.6° | 60.0° |
O9 | P7 | O8 | H81 | 60.6° | 60.0° |
O10 | P7 | O8 | H81 | 59.6° | 60.0° |
O10 | P7 | O9 | H91 | 59.9° | 180.0° |