CYH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.37Å | |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | C6 | sing | 1.51Å | 1.55Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 115.5° | 120.8° |
O1 | C1 | C6 | 118.4° | 120.9° |
C2 | C1 | C6 | 118.5° | 118.3° |
C1 | C2 | C3 | 110.3° | 108.5° |
C1 | C2 | H21 | 111.9° | 109.6° |
C1 | C2 | H22 | 111.9° | 109.6° |
C1 | C6 | C5 | 105.9° | 108.8° |
C1 | C6 | H61 | 113.5° | 109.7° |
C1 | C6 | H62 | 113.6° | 109.3° |
C3 | C2 | H21 | 111.9° | 109.6° |
C3 | C2 | H22 | 111.9° | 109.7° |
C2 | C3 | C4 | 111.4° | 109.4° |
C2 | C3 | H31 | 111.5° | 109.4° |
C2 | C3 | H32 | 111.5° | 109.4° |
H21 | C2 | H22 | 98.5° | 109.8° |
C4 | C3 | H31 | 111.5° | 109.5° |
C4 | C3 | H32 | 111.5° | 109.5° |
C3 | C4 | C5 | 111.4° | 109.8° |
C3 | C4 | H41 | 111.5° | 109.4° |
C3 | C4 | H42 | 111.5° | 109.4° |
H31 | C3 | H32 | 98.9° | 109.5° |
C5 | C4 | H41 | 111.5° | 109.4° |
C5 | C4 | H42 | 111.5° | 109.4° |
C4 | C5 | C6 | 108.5° | 109.5° |
C4 | C5 | H51 | 112.6° | 109.5° |
C4 | C5 | H52 | 112.5° | 109.5° |
H41 | C4 | H42 | 98.9° | 109.3° |
C6 | C5 | H51 | 112.6° | 109.5° |
C6 | C5 | H52 | 112.5° | 109.3° |
C5 | C6 | H61 | 113.5° | 109.6° |
C5 | C6 | H62 | 113.5° | 109.7° |
H51 | C5 | H52 | 97.9° | 109.5° |
H61 | C6 | H62 | 96.9° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | C6 | 149.2° | 179.7° |
O1 | C1 | C2 | C3 | 164.0° | 128.7° |
O1 | C1 | C2 | H21 | 38.8° | 111.7° |
O1 | C1 | C2 | H22 | 70.7° | 8.9° |
O1 | C1 | C6 | C5 | 157.9° | 128.7° |
O1 | C1 | C6 | H61 | 76.8° | 8.8° |
O1 | C1 | C6 | H62 | 32.7° | 111.6° |
C1 | C2 | C3 | H21 | 125.3° | 119.6° |
C1 | C2 | C3 | H22 | 125.3° | 119.7° |
C1 | C2 | H21 | H22 | 117.8° | 120.5° |
C1 | C2 | C3 | C4 | 45.7° | 54.6° |
C1 | C2 | C3 | H31 | 79.6° | 174.6° |
C1 | C2 | C3 | H32 | 171.0° | 65.4° |
C2 | C1 | C6 | C5 | 53.7° | 51.0° |
C2 | C1 | C6 | H61 | 71.5° | 170.9° |
C2 | C1 | C6 | H62 | 179.0° | 68.7° |
C6 | C1 | C2 | C3 | 46.7° | 51.0° |
C6 | C1 | C2 | H21 | 172.0° | 68.6° |
C6 | C1 | C2 | H22 | 78.5° | 170.8° |
C1 | C6 | C5 | C4 | 60.2° | 54.4° |
C1 | C6 | C5 | H61 | 125.2° | 120.0° |
C1 | C6 | C5 | H62 | 125.3° | 119.5° |
C1 | C6 | C5 | H51 | 65.0° | 174.4° |
C1 | C6 | C5 | H52 | 174.5° | 65.6° |
C1 | C6 | H61 | H62 | 119.5° | 120.1° |
C3 | C2 | H21 | H22 | 117.8° | 120.5° |
C2 | C3 | C4 | H31 | 125.3° | 120.0° |
C2 | C3 | C4 | H32 | 125.3° | 119.9° |
C2 | C3 | H31 | H32 | 117.4° | 119.9° |
C2 | C3 | C4 | C5 | 58.0° | 63.6° |
C2 | C3 | C4 | H41 | 176.7° | 56.5° |
C2 | C3 | C4 | H42 | 67.3° | 176.3° |
H21 | C2 | C3 | C4 | 170.9° | 65.1° |
H21 | C2 | C3 | H31 | 45.7° | 55.0° |
H21 | C2 | C3 | H32 | 63.8° | 175.0° |
H22 | C2 | C3 | C4 | 79.6° | 174.3° |
H22 | C2 | C3 | H31 | 155.1° | 65.6° |
H22 | C2 | C3 | H32 | 45.7° | 54.4° |
C4 | C3 | H31 | H32 | 117.4° | 120.1° |
C3 | C4 | C5 | H41 | 125.3° | 120.1° |
C3 | C4 | C5 | H42 | 125.3° | 120.2° |
C3 | C4 | H41 | H42 | 117.4° | 119.8° |
C3 | C4 | C5 | C6 | 66.4° | 63.4° |
C3 | C4 | C5 | H51 | 58.9° | 176.5° |
C3 | C4 | C5 | H52 | 168.4° | 56.4° |
H31 | C3 | C4 | C5 | 67.2° | 176.4° |
H31 | C3 | C4 | H41 | 58.0° | 63.5° |
H31 | C3 | C4 | H42 | 167.5° | 56.3° |
H32 | C3 | C4 | C5 | 176.7° | 56.4° |
H32 | C3 | C4 | H41 | 51.4° | 176.4° |
H32 | C3 | C4 | H42 | 58.0° | 63.8° |
C5 | C4 | H41 | H42 | 117.4° | 119.8° |
C4 | C5 | C6 | H51 | 125.3° | 120.1° |
C4 | C5 | C6 | H52 | 125.2° | 119.9° |
C4 | C5 | H51 | H52 | 118.5° | 120.1° |
C4 | C5 | C6 | H61 | 65.0° | 174.3° |
C4 | C5 | C6 | H62 | 174.5° | 65.1° |
H41 | C4 | C5 | C6 | 168.4° | 56.7° |
H41 | C4 | C5 | H51 | 66.4° | 63.4° |
H41 | C4 | C5 | H52 | 43.1° | 176.5° |
H42 | C4 | C5 | C6 | 58.9° | 176.4° |
H42 | C4 | C5 | H51 | 175.8° | 56.3° |
H42 | C4 | C5 | H52 | 66.3° | 63.8° |
C6 | C5 | H51 | H52 | 118.5° | 119.9° |
C5 | C6 | H61 | H62 | 119.4° | 120.5° |
H51 | C5 | C6 | H61 | 169.7° | 65.6° |
H51 | C5 | C6 | H62 | 60.2° | 55.0° |
H52 | C5 | C6 | H61 | 60.2° | 54.4° |
H52 | C5 | C6 | H62 | 49.3° | 175.0° |