7I2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
N1 | C8 | doub | 1.31Å | 1.32Å | Aromatic |
N2 | C3 | sing | 1.34Å | 1.49Å | Aromatic |
N2 | C13 | sing | 1.39Å | 1.41Å | |
C3 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | H31 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
C4 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
C4 | H41 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
C5 | H51 | sing | 1.08Å | 1.10Å | |
C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | H61 | sing | 1.08Å | 1.10Å | |
C7 | C8 | sing | 1.47Å | 1.42Å | Aromatic |
C7 | N10 | sing | 1.33Å | 1.32Å | |
C8 | C9 | sing | 1.47Å | 1.39Å | Aromatic |
N10 | O11 | doub | 1.42Å | 1.21Å | |
N10 | O12 | sing | 1.22Å | 1.22Å | |
C13 | N14 | doub | 1.30Å | 1.33Å | |
C13 | N15 | sing | 1.37Å | 1.32Å | |
N14 | H14 | sing | 0.97Å | 1.02Å | |
N15 | H151 | sing | 0.97Å | 1.02Å | |
N15 | H152 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | N1 | C8 | 111.4° | 109.2° |
N1 | N2 | C3 | 106.1° | 109.8° |
N1 | N2 | C13 | 127.0° | 125.2° |
N1 | C8 | C7 | 131.5° | 134.9° |
N1 | C8 | C9 | 109.1° | 107.1° |
C3 | N2 | C13 | 126.9° | 125.0° |
N2 | C3 | C9 | 103.8° | 107.7° |
N2 | C3 | H31 | 130.2° | 126.1° |
N2 | C13 | N14 | 120.0° | 120.1° |
N2 | C13 | N15 | 120.0° | 119.9° |
C9 | C3 | H31 | 126.0° | 126.2° |
C3 | C9 | C4 | 131.4° | 134.8° |
C3 | C9 | C8 | 109.6° | 106.2° |
C5 | C4 | C9 | 120.6° | 120.7° |
C5 | C4 | H41 | 118.8° | 119.7° |
C4 | C5 | C6 | 121.3° | 122.6° |
C4 | C5 | H51 | 119.5° | 118.7° |
C9 | C4 | H41 | 120.6° | 119.7° |
C4 | C9 | C8 | 119.0° | 119.0° |
C6 | C5 | H51 | 119.3° | 118.8° |
C5 | C6 | C7 | 119.4° | 121.2° |
C5 | C6 | H61 | 119.8° | 119.4° |
C7 | C6 | H61 | 120.8° | 119.4° |
C6 | C7 | C8 | 120.3° | 118.6° |
C6 | C7 | N10 | 119.8° | 120.7° |
C8 | C7 | N10 | 119.8° | 120.7° |
C7 | C8 | C9 | 119.4° | 118.0° |
C7 | N10 | O11 | 120.1° | 120.0° |
C7 | N10 | O12 | 120.0° | 120.0° |
O11 | N10 | O12 | 119.9° | 120.0° |
N14 | C13 | N15 | 120.0° | 120.0° |
C13 | N14 | H14 | 120.0° | 120.0° |
C13 | N15 | H151 | 120.0° | 120.0° |
C13 | N15 | H152 | 108.4° | 120.0° |
H151 | N15 | H152 | 108.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | N2 | C3 | C13 | 178.0° | 179.8° |
N1 | N2 | C3 | C9 | 0.4° | 0.2° |
N1 | N2 | C3 | H31 | 179.6° | 179.8° |
N2 | N1 | C8 | C7 | 179.6° | 179.9° |
N2 | N1 | C8 | C9 | 0.3° | 0.4° |
N1 | N2 | C13 | N14 | 139.8° | 179.7° |
N1 | N2 | C13 | N15 | 40.6° | 0.3° |
C8 | N1 | N2 | C3 | 0.4° | 0.4° |
C8 | N1 | N2 | C13 | 177.6° | 179.8° |
N1 | C8 | C9 | C3 | 0.0° | 0.2° |
N1 | C8 | C9 | C4 | 179.8° | 179.8° |
N1 | C8 | C7 | C6 | 179.7° | 179.7° |
N1 | C8 | C7 | C9 | 179.8° | 179.7° |
N1 | C8 | C7 | N10 | 0.3° | 0.3° |
N2 | C3 | C9 | H31 | 180.0° | 180.0° |
N2 | C3 | C9 | C4 | 179.6° | 180.0° |
N2 | C3 | C9 | C8 | 0.2° | 0.0° |
C3 | N2 | C13 | N14 | 42.7° | 0.0° |
C3 | N2 | C13 | N15 | 137.0° | 180.0° |
C13 | N2 | C3 | C9 | 177.6° | 180.0° |
C13 | N2 | C3 | H31 | 2.5° | 0.0° |
N2 | C13 | N14 | N15 | 179.7° | 180.0° |
N2 | C13 | N14 | H14 | 103.0° | 0.0° |
N2 | C13 | N15 | H151 | 180.0° | 180.0° |
N2 | C13 | N15 | H152 | 54.8° | 0.3° |
C3 | C9 | C4 | C5 | 179.7° | 180.0° |
C3 | C9 | C4 | C8 | 179.8° | 180.0° |
C3 | C9 | C4 | H41 | 0.3° | 0.0° |
C3 | C9 | C8 | C7 | 179.9° | 180.0° |
H31 | C3 | C9 | C4 | 0.4° | 0.0° |
H31 | C3 | C9 | C8 | 179.7° | 180.0° |
C5 | C4 | C9 | H41 | 180.0° | 180.0° |
C4 | C5 | C6 | H51 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.0° | 0.0° |
C4 | C5 | C6 | H61 | 180.0° | 180.0° |
C5 | C4 | C9 | C8 | 0.1° | 0.0° |
C9 | C4 | C5 | C6 | 0.1° | 0.0° |
C9 | C4 | C5 | H51 | 179.9° | 180.0° |
C4 | C9 | C8 | C7 | 0.0° | 0.0° |
H41 | C4 | C5 | C6 | 179.8° | 180.0° |
H41 | C4 | C5 | H51 | 0.1° | 0.0° |
H41 | C4 | C9 | C8 | 179.9° | 180.0° |
C5 | C6 | C7 | H61 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C5 | C6 | C7 | N10 | 179.9° | 180.0° |
H51 | C5 | C6 | C7 | 180.0° | 180.0° |
H51 | C5 | C6 | H61 | 0.0° | 0.0° |
C6 | C7 | C8 | N10 | 179.9° | 180.0° |
C6 | C7 | C8 | C9 | 0.1° | 0.0° |
C6 | C7 | N10 | O11 | 179.8° | 0.0° |
C6 | C7 | N10 | O12 | 0.2° | 180.0° |
H61 | C6 | C7 | C8 | 179.9° | 180.0° |
H61 | C6 | C7 | N10 | 0.1° | 0.0° |
C8 | C7 | N10 | O11 | 0.3° | 180.0° |
C8 | C7 | N10 | O12 | 179.8° | 0.0° |
N10 | C7 | C8 | C9 | 179.9° | 180.0° |
C7 | N10 | O11 | O12 | 180.0° | 180.0° |
N14 | C13 | N15 | H151 | 0.3° | 0.0° |
N14 | C13 | N15 | H152 | 124.9° | 179.7° |
N15 | C13 | N14 | H14 | 77.4° | 180.0° |
C13 | N15 | H151 | H152 | 125.2° | 179.7° |