O78
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O8 | C1 | doub | 1.22Å | 1.25Å | |
O9 | C1 | sing | 1.35Å | 1.26Å | |
C1 | C2 | sing | 1.47Å | 1.47Å | |
C2 | C7 | doub | 1.34Å | 1.34Å | |
C2 | C3 | sing | 1.50Å | 1.52Å | |
C7 | C6 | sing | 1.47Å | 1.48Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C6 | N10 | doub | 1.29Å | 1.26Å | |
C6 | C5 | sing | 1.52Å | 1.51Å | |
C4 | C5 | sing | 1.54Å | 1.53Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
N10 | H9 | sing | 0.97Å | 1.00Å | |
O9 | H10 | sing | 0.97Å | 0.95Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O8 | C1 | O9 | 121.8° | 120.0° |
O8 | C1 | C2 | 117.6° | 120.0° |
O9 | C1 | C2 | 120.6° | 120.0° |
C1 | O9 | H10 | 109.5° | 117.0° |
C1 | C2 | C7 | 118.4° | 118.5° |
C1 | C2 | C3 | 120.8° | 118.5° |
C7 | C2 | C3 | 120.8° | 123.0° |
C2 | C7 | C6 | 119.3° | 120.3° |
C2 | C7 | H7 | 120.3° | 119.8° |
C2 | C3 | C4 | 112.3° | 111.2° |
C2 | C3 | H5 | 108.8° | 109.1° |
C2 | C3 | H6 | 108.8° | 109.1° |
C7 | C6 | N10 | 119.3° | 121.2° |
C7 | C6 | C5 | 120.2° | 117.7° |
C6 | C7 | H7 | 120.3° | 119.8° |
C3 | C4 | C5 | 111.3° | 109.1° |
C3 | C4 | H1 | 109.0° | 109.5° |
C3 | C4 | H2 | 109.0° | 109.6° |
C4 | C3 | H5 | 108.8° | 109.1° |
C4 | C3 | H6 | 108.8° | 109.1° |
N10 | C6 | C5 | 120.5° | 121.2° |
C6 | N10 | H9 | 112.0° | 120.0° |
C6 | C5 | C4 | 106.3° | 107.3° |
C6 | C5 | H3 | 110.2° | 109.9° |
C6 | C5 | H8 | 110.2° | 109.9° |
C5 | C4 | H1 | 109.0° | 109.5° |
C5 | C4 | H2 | 109.0° | 109.5° |
C4 | C5 | H3 | 110.3° | 109.9° |
C4 | C5 | H8 | 110.3° | 109.9° |
H1 | C4 | H2 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.4° | 109.1° |
H3 | C5 | H8 | 109.5° | 109.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O8 | C1 | O9 | C2 | 179.2° | 180.0° |
O8 | C1 | C2 | C7 | 14.7° | 0.1° |
O8 | C1 | C2 | C3 | 164.4° | 180.0° |
O8 | C1 | O9 | H10 | 0.0° | 0.0° |
O9 | C1 | C2 | C7 | 166.1° | 180.0° |
O9 | C1 | C2 | C3 | 14.8° | 0.0° |
C1 | C2 | C7 | C3 | 179.1° | 180.0° |
C1 | C2 | C7 | C6 | 156.2° | 179.3° |
C1 | C2 | C3 | C4 | 175.3° | 157.7° |
C1 | C2 | C3 | H5 | 64.3° | 37.3° |
C1 | C2 | C3 | H6 | 54.8° | 81.8° |
C1 | C2 | C7 | H7 | 23.8° | 0.8° |
C2 | C1 | O9 | H10 | 179.2° | 180.0° |
C2 | C7 | C6 | H7 | 180.0° | 179.9° |
C7 | C2 | C3 | C4 | 5.6° | 22.2° |
C2 | C7 | C6 | N10 | 172.1° | 168.5° |
C2 | C7 | C6 | C5 | 8.1° | 11.5° |
C7 | C2 | C3 | H5 | 114.8° | 142.6° |
C7 | C2 | C3 | H6 | 126.1° | 98.2° |
C3 | C2 | C7 | C6 | 22.9° | 0.6° |
C2 | C3 | C4 | H5 | 120.4° | 120.4° |
C2 | C3 | C4 | H6 | 120.4° | 120.5° |
C2 | C3 | C4 | C5 | 48.5° | 53.2° |
C2 | C3 | C4 | H1 | 168.8° | 66.7° |
C2 | C3 | C4 | H2 | 71.8° | 173.1° |
C2 | C3 | H5 | H6 | 118.7° | 119.2° |
C3 | C2 | C7 | H7 | 157.1° | 179.2° |
C7 | C6 | N10 | C5 | 179.8° | 180.0° |
C7 | C6 | C5 | C4 | 32.8° | 42.0° |
C7 | C6 | N10 | H9 | 179.8° | 180.0° |
C7 | C6 | C5 | H3 | 152.4° | 77.4° |
C7 | C6 | C5 | H8 | 86.7° | 161.6° |
C3 | C4 | C5 | C6 | 59.7° | 62.4° |
C3 | C4 | C5 | H1 | 120.3° | 119.9° |
C3 | C4 | C5 | H2 | 120.3° | 120.0° |
C3 | C4 | H1 | H2 | 119.2° | 120.2° |
C4 | C3 | H5 | H6 | 118.7° | 119.1° |
C3 | C4 | C5 | H3 | 179.2° | 57.0° |
C3 | C4 | C5 | H8 | 59.8° | 178.1° |
N10 | C6 | C5 | C4 | 147.0° | 138.0° |
N10 | C6 | C7 | H7 | 7.9° | 11.6° |
N10 | C6 | C5 | H3 | 27.4° | 102.6° |
N10 | C6 | C5 | H8 | 93.5° | 18.4° |
C6 | C5 | C4 | H3 | 119.5° | 119.4° |
C6 | C5 | C4 | H8 | 119.5° | 119.5° |
C6 | C5 | C4 | H1 | 180.0° | 57.5° |
C6 | C5 | C4 | H2 | 60.6° | 177.6° |
C5 | C6 | C7 | H7 | 171.9° | 168.4° |
C5 | C6 | N10 | H9 | 0.0° | 0.0° |
C6 | C5 | H3 | H8 | 121.4° | 121.1° |
C5 | C4 | H1 | H2 | 119.1° | 120.2° |
C5 | C4 | C3 | H5 | 71.9° | 173.6° |
C5 | C4 | C3 | H6 | 168.9° | 67.3° |
C4 | C5 | H3 | H8 | 121.5° | 121.1° |
H1 | C4 | C3 | H5 | 48.3° | 53.7° |
H1 | C4 | C3 | H6 | 70.8° | 172.8° |
H1 | C4 | C5 | H3 | 60.5° | 176.9° |
H1 | C4 | C5 | H8 | 60.5° | 62.0° |
H2 | C4 | C3 | H5 | 167.8° | 66.4° |
H2 | C4 | C3 | H6 | 48.7° | 52.7° |
H2 | C4 | C5 | H3 | 58.9° | 62.9° |
H2 | C4 | C5 | H8 | 179.9° | 58.1° |