7EX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C5 | sing | 1.53Å | 1.49Å | |
C6 | O | sing | 1.42Å | 1.41Å | |
C6 | C1 | sing | 1.52Å | 1.40Å | |
C5 | C4 | sing | 1.53Å | 1.48Å | |
O | C1 | sing | 1.42Å | 1.40Å | |
C4 | C3 | sing | 1.53Å | 1.50Å | |
C1 | C2 | sing | 1.52Å | 1.49Å | |
C3 | C2 | sing | 1.53Å | 1.47Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C6 | O | 145.1° | 115.4° |
C5 | C6 | C1 | 115.6° | 120.6° |
C6 | C5 | C4 | 105.3° | 110.1° |
C6 | C5 | H8 | 110.5° | 109.4° |
C6 | C5 | H9 | 110.5° | 109.3° |
C5 | C6 | H10 | 106.6° | 115.6° |
O | C6 | C1 | 59.7° | 57.7° |
C6 | O | C1 | 60.1° | 64.7° |
O | C6 | H10 | 107.5° | 117.6° |
C6 | C1 | O | 60.2° | 57.6° |
C6 | C1 | C2 | 118.6° | 119.9° |
C6 | C1 | H1 | 108.9° | 116.2° |
C1 | C6 | H10 | 107.6° | 117.5° |
C5 | C4 | C3 | 116.6° | 108.6° |
C5 | C4 | H6 | 107.7° | 109.7° |
C5 | C4 | H7 | 107.7° | 109.8° |
C4 | C5 | H8 | 110.5° | 109.3° |
C4 | C5 | H9 | 110.5° | 109.4° |
O | C1 | C2 | 140.6° | 120.1° |
O | C1 | H1 | 109.0° | 116.3° |
C4 | C3 | C2 | 114.3° | 108.6° |
C4 | C3 | H4 | 108.2° | 109.6° |
C4 | C3 | H5 | 108.2° | 109.7° |
C3 | C4 | H6 | 107.7° | 109.6° |
C3 | C4 | H7 | 107.7° | 109.6° |
C1 | C2 | C3 | 104.6° | 110.5° |
C2 | C1 | H1 | 107.8° | 114.9° |
C1 | C2 | H2 | 110.7° | 109.2° |
C1 | C2 | H3 | 110.7° | 109.3° |
C3 | C2 | H2 | 110.6° | 109.3° |
C3 | C2 | H3 | 110.7° | 109.3° |
C2 | C3 | H4 | 108.2° | 109.6° |
C2 | C3 | H5 | 108.3° | 109.6° |
H2 | C2 | H3 | 109.5° | 109.2° |
H4 | C3 | H5 | 109.5° | 109.7° |
H6 | C4 | H7 | 109.4° | 109.6° |
H8 | C5 | H9 | 109.5° | 109.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C6 | O | C1 | 92.1° | 111.4° |
C5 | C6 | O | H10 | 167.4° | 142.0° |
C5 | C6 | C1 | H10 | 118.9° | 150.7° |
C6 | C5 | C4 | H8 | 119.3° | 120.3° |
C6 | C5 | C4 | H9 | 119.3° | 120.1° |
C6 | C5 | C4 | C3 | 51.3° | 54.6° |
C5 | C6 | C1 | C2 | 6.0° | 6.2° |
C5 | C6 | C1 | H1 | 117.8° | 151.7° |
C6 | C5 | C4 | H6 | 69.7° | 174.3° |
C6 | C5 | C4 | H7 | 172.4° | 65.2° |
C6 | C5 | H8 | H9 | 121.9° | 119.6° |
O | C6 | C1 | H10 | 100.4° | 106.8° |
O | C6 | C5 | C4 | 119.3° | 88.0° |
O | C6 | C1 | C2 | 134.6° | 108.7° |
O | C6 | C1 | H1 | 101.6° | 105.7° |
O | C6 | C5 | H8 | 121.4° | 32.2° |
O | C6 | C5 | H9 | 0.0° | 151.8° |
C1 | C6 | C5 | C4 | 46.3° | 22.0° |
C6 | C1 | C2 | H1 | 124.3° | 146.0° |
C6 | C1 | C2 | C3 | 54.5° | 22.4° |
C6 | C1 | C2 | H2 | 64.7° | 142.6° |
C6 | C1 | C2 | H3 | 173.7° | 98.0° |
C1 | C6 | C5 | H8 | 165.6° | 98.2° |
C1 | C6 | C5 | H9 | 73.1° | 142.1° |
C5 | C4 | C3 | H6 | 121.0° | 119.8° |
C5 | C4 | C3 | H7 | 121.1° | 119.9° |
C5 | C4 | C3 | C2 | 3.6° | 74.3° |
C5 | C4 | C3 | H4 | 124.3° | 45.5° |
C5 | C4 | C3 | H5 | 117.2° | 165.9° |
C5 | C4 | H6 | H7 | 116.8° | 120.5° |
C4 | C5 | H8 | H9 | 122.0° | 119.7° |
C4 | C5 | C6 | H10 | 73.2° | 129.2° |
O | C1 | C2 | H1 | 158.7° | 146.4° |
O | C1 | C2 | C3 | 131.5° | 45.2° |
O | C1 | C2 | H2 | 12.3° | 75.0° |
O | C1 | C2 | H3 | 109.3° | 165.5° |
C4 | C3 | C2 | C1 | 47.3° | 55.1° |
C4 | C3 | C2 | H4 | 120.7° | 119.7° |
C4 | C3 | C2 | H5 | 120.7° | 119.9° |
C4 | C3 | C2 | H2 | 71.9° | 175.3° |
C4 | C3 | C2 | H3 | 166.5° | 65.3° |
C4 | C3 | H4 | H5 | 117.8° | 120.5° |
C3 | C4 | H6 | H7 | 116.7° | 120.3° |
C3 | C4 | C5 | H8 | 170.7° | 65.7° |
C3 | C4 | C5 | H9 | 68.0° | 174.6° |
C1 | C2 | C3 | H2 | 119.2° | 120.2° |
C1 | C2 | C3 | H3 | 119.2° | 120.4° |
C1 | C2 | H2 | H3 | 122.3° | 119.5° |
C1 | C2 | C3 | H4 | 73.4° | 64.6° |
C1 | C2 | C3 | H5 | 168.0° | 174.9° |
C2 | C1 | C6 | H10 | 124.9° | 144.5° |
C3 | C2 | C1 | H1 | 69.8° | 168.4° |
C3 | C2 | H2 | H3 | 122.2° | 119.5° |
C2 | C3 | H4 | H5 | 117.8° | 120.4° |
C2 | C3 | C4 | H6 | 117.5° | 165.9° |
C2 | C3 | C4 | H7 | 124.6° | 45.6° |
H1 | C1 | C2 | H2 | 171.0° | 71.4° |
H1 | C1 | C2 | H3 | 49.4° | 48.0° |
H1 | C1 | C6 | H10 | 1.2° | 1.1° |
H2 | C2 | C3 | H4 | 167.4° | 55.6° |
H2 | C2 | C3 | H5 | 48.8° | 64.8° |
H3 | C2 | C3 | H4 | 45.8° | 175.0° |
H3 | C2 | C3 | H5 | 72.8° | 54.6° |
H4 | C3 | C4 | H6 | 3.2° | 74.4° |
H4 | C3 | C4 | H7 | 114.7° | 165.3° |
H5 | C3 | C4 | H6 | 121.8° | 46.1° |
H5 | C3 | C4 | H7 | 3.9° | 74.2° |
H6 | C4 | C5 | H8 | 49.6° | 54.1° |
H6 | C4 | C5 | H9 | 171.0° | 65.6° |
H7 | C4 | C5 | H8 | 68.3° | 174.5° |
H7 | C4 | C5 | H9 | 53.0° | 54.9° |
H8 | C5 | C6 | H10 | 46.1° | 110.6° |
H9 | C5 | C6 | H10 | 167.5° | 9.1° |