L9O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
C5 | N1 | sing | 1.40Å | 1.42Å | |
C1 | C | sing | 1.51Å | 1.51Å | |
O | C6 | doub | 1.21Å | 1.22Å | |
N1 | C6 | sing | 1.35Å | 1.35Å | |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C13 | C12 | sing | 1.54Å | 1.53Å | |
C13 | C10 | sing | 1.53Å | 1.56Å | |
C12 | C11 | sing | 1.54Å | 1.53Å | |
C7 | C10 | sing | 1.53Å | 1.57Å | |
C7 | C8 | sing | 1.54Å | 1.54Å | |
C10 | C11 | sing | 1.53Å | 1.55Å | |
C10 | C9 | sing | 1.53Å | 1.55Å | |
C8 | C9 | sing | 1.54Å | 1.54Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C | H14 | sing | 1.09Å | 1.10Å | |
C | H15 | sing | 1.09Å | 1.10Å | |
C | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.08Å | 1.08Å | |
C2 | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | N | C4 | 117.3° | 121.8° |
N | C3 | C2 | 123.6° | 120.9° |
N | C3 | H17 | 118.2° | 119.5° |
N | C4 | C5 | 123.6° | 120.7° |
N | C4 | H2 | 118.2° | 119.7° |
C3 | C2 | C1 | 119.7° | 119.2° |
C2 | C3 | H17 | 118.2° | 119.5° |
C3 | C2 | H18 | 120.1° | 120.4° |
C4 | C5 | C1 | 118.3° | 119.0° |
C4 | C5 | N1 | 122.9° | 120.5° |
C5 | C4 | H2 | 118.2° | 119.7° |
C2 | C1 | C5 | 117.3° | 118.4° |
C2 | C1 | C | 120.7° | 120.8° |
C1 | C2 | H18 | 120.2° | 120.4° |
C1 | C5 | N1 | 118.7° | 120.5° |
C5 | C1 | C | 121.9° | 120.8° |
C5 | N1 | C6 | 129.7° | 120.0° |
C5 | N1 | H1 | 115.2° | 120.0° |
C1 | C | H14 | 109.5° | 109.5° |
C1 | C | H15 | 109.5° | 109.4° |
C1 | C | H16 | 109.5° | 109.5° |
O | C6 | N1 | 123.3° | 120.0° |
O | C6 | C7 | 122.0° | 120.0° |
N1 | C6 | C7 | 114.4° | 120.0° |
C6 | N1 | H1 | 115.2° | 120.0° |
C6 | C7 | C10 | 116.5° | 113.7° |
C6 | C7 | C8 | 117.5° | 113.7° |
C6 | C7 | H3 | 111.3° | 112.9° |
C12 | C13 | C10 | 89.8° | 86.8° |
C13 | C12 | C11 | 89.7° | 87.3° |
C12 | C13 | H6 | 114.2° | 113.6° |
C12 | C13 | H7 | 114.1° | 113.7° |
C13 | C12 | H8 | 114.2° | 113.6° |
C13 | C12 | H9 | 114.2° | 113.6° |
C13 | C10 | C7 | 128.0° | 121.1° |
C13 | C10 | C11 | 87.8° | 88.0° |
C13 | C10 | C9 | 115.1° | 121.1° |
C10 | C13 | H6 | 114.1° | 113.7° |
C10 | C13 | H7 | 114.1° | 113.7° |
C12 | C11 | C10 | 89.8° | 86.8° |
C11 | C12 | H8 | 114.1° | 113.6° |
C11 | C12 | H9 | 114.1° | 113.6° |
C12 | C11 | H10 | 114.1° | 113.7° |
C12 | C11 | H11 | 114.1° | 113.7° |
C10 | C7 | C8 | 88.2° | 86.8° |
C7 | C10 | C11 | 121.7° | 121.2° |
C7 | C10 | C9 | 87.9° | 88.0° |
C10 | C7 | H3 | 110.5° | 113.6° |
C7 | C8 | C9 | 89.2° | 87.3° |
C8 | C7 | H3 | 110.9° | 113.7° |
C7 | C8 | H4 | 114.2° | 113.6° |
C7 | C8 | H5 | 114.2° | 113.5° |
C11 | C10 | C9 | 119.8° | 121.1° |
C10 | C11 | H10 | 114.1° | 113.7° |
C10 | C11 | H11 | 114.1° | 113.7° |
C10 | C9 | C8 | 88.9° | 86.8° |
C10 | C9 | H12 | 114.3° | 113.7° |
C10 | C9 | H13 | 114.3° | 113.7° |
C9 | C8 | H4 | 114.3° | 113.6° |
C9 | C8 | H5 | 114.3° | 113.5° |
C8 | C9 | H12 | 114.3° | 113.7° |
C8 | C9 | H13 | 114.3° | 113.7° |
H4 | C8 | H5 | 109.5° | 112.9° |
H6 | C13 | H7 | 109.5° | 112.9° |
H8 | C12 | H9 | 109.5° | 112.9° |
H10 | C11 | H11 | 109.5° | 112.9° |
H12 | C9 | H13 | 109.5° | 113.0° |
H14 | C | H15 | 109.5° | 109.5° |
H14 | C | H16 | 109.4° | 109.5° |
H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C3 | C2 | H17 | 180.0° | 179.6° |
C3 | N | C4 | C5 | 0.7° | 0.1° |
N | C3 | C2 | C1 | 1.2° | 0.7° |
C3 | N | C4 | H2 | 179.3° | 179.7° |
N | C3 | C2 | H18 | 178.7° | 180.0° |
C4 | N | C3 | C2 | 1.9° | 0.4° |
N | C4 | C5 | H2 | 180.0° | 179.7° |
N | C4 | C5 | C1 | 3.7° | 0.3° |
N | C4 | C5 | N1 | 174.6° | 179.7° |
C4 | N | C3 | H17 | 178.1° | 180.0° |
C3 | C2 | C1 | H18 | 180.0° | 179.3° |
C3 | C2 | C1 | C5 | 1.9° | 0.5° |
C3 | C2 | C1 | C | 178.2° | 179.5° |
C4 | C5 | C1 | C2 | 4.1° | 0.0° |
C4 | C5 | C1 | N1 | 178.4° | 180.0° |
C4 | C5 | C1 | C | 175.9° | 179.9° |
C4 | C5 | N1 | C6 | 5.2° | 24.8° |
C4 | C5 | N1 | H1 | 174.8° | 155.0° |
C2 | C1 | C5 | C | 179.9° | 179.9° |
C2 | C1 | C5 | N1 | 174.3° | 180.0° |
C2 | C1 | C | H14 | 90.0° | 90.0° |
C2 | C1 | C | H15 | 150.0° | 30.1° |
C2 | C1 | C | H16 | 29.9° | 150.0° |
C1 | C2 | C3 | H17 | 178.8° | 179.7° |
C1 | C5 | N1 | C6 | 173.1° | 155.2° |
C1 | C5 | N1 | H1 | 6.9° | 25.0° |
C1 | C5 | C4 | H2 | 176.3° | 180.0° |
C5 | C1 | C | H14 | 90.0° | 90.0° |
C5 | C1 | C | H15 | 30.0° | 150.0° |
C5 | C1 | C | H16 | 150.0° | 30.0° |
C5 | C1 | C2 | H18 | 178.1° | 179.8° |
N1 | C5 | C1 | C | 5.7° | 0.1° |
C5 | N1 | C6 | O | 28.8° | 5.7° |
C5 | N1 | C6 | H1 | 180.0° | 179.8° |
C5 | N1 | C6 | C7 | 156.8° | 174.4° |
N1 | C5 | C4 | H2 | 5.4° | 0.1° |
C1 | C | H14 | H15 | 120.0° | 120.0° |
C1 | C | H14 | H16 | 120.0° | 120.0° |
C1 | C | H15 | H16 | 120.0° | 120.0° |
C | C1 | C2 | H18 | 1.8° | 0.2° |
O | C6 | N1 | C7 | 174.4° | 179.9° |
O | C6 | C7 | C10 | 12.6° | 0.1° |
O | C6 | C7 | C8 | 115.3° | 97.2° |
O | C6 | N1 | H1 | 151.2° | 174.6° |
O | C6 | C7 | H3 | 115.3° | 131.3° |
N1 | C6 | C7 | C10 | 172.9° | 180.0° |
N1 | C6 | C7 | C8 | 70.2° | 82.8° |
N1 | C6 | C7 | H3 | 59.2° | 48.7° |
C6 | C7 | C10 | C13 | 17.2° | 36.1° |
C6 | C7 | C10 | C8 | 120.0° | 114.6° |
C6 | C7 | C10 | H3 | 128.3° | 130.9° |
C6 | C7 | C8 | H3 | 129.6° | 131.1° |
C6 | C7 | C10 | C11 | 97.9° | 144.6° |
C6 | C7 | C10 | C9 | 137.9° | 89.6° |
C6 | C7 | C8 | C9 | 137.2° | 89.7° |
C7 | C6 | N1 | H1 | 23.2° | 5.4° |
C6 | C7 | C8 | H4 | 106.4° | 155.7° |
C6 | C7 | C8 | H5 | 20.7° | 24.8° |
C12 | C13 | C10 | H6 | 116.5° | 114.4° |
C12 | C13 | C10 | H7 | 116.5° | 114.5° |
C13 | C12 | C11 | H8 | 116.5° | 114.6° |
C13 | C12 | C11 | H9 | 116.5° | 114.6° |
C12 | C13 | C10 | C7 | 116.8° | 100.8° |
C12 | C13 | C10 | C11 | 12.7° | 24.9° |
C12 | C13 | C10 | C9 | 134.9° | 150.6° |
C12 | C13 | H6 | H7 | 129.4° | 131.4° |
C13 | C12 | H8 | H9 | 129.4° | 131.2° |
C13 | C12 | C11 | H10 | 103.6° | 139.2° |
C13 | C12 | C11 | H11 | 129.5° | 89.8° |
C13 | C10 | C7 | C11 | 115.1° | 108.6° |
C13 | C10 | C7 | C9 | 120.7° | 125.7° |
C13 | C10 | C7 | C8 | 102.8° | 150.6° |
C13 | C10 | C11 | C9 | 117.9° | 125.7° |
C13 | C10 | C9 | C8 | 113.7° | 150.6° |
C13 | C10 | C7 | H3 | 145.5° | 94.8° |
C10 | C13 | H6 | H7 | 129.3° | 131.4° |
C10 | C13 | C12 | H8 | 129.4° | 139.3° |
C10 | C13 | C12 | H9 | 103.6° | 89.9° |
C13 | C10 | C11 | H10 | 103.8° | 139.4° |
C13 | C10 | C11 | H11 | 129.2° | 89.6° |
C13 | C10 | C9 | H12 | 2.7° | 94.9° |
C13 | C10 | C9 | H13 | 130.0° | 36.1° |
C12 | C11 | C10 | C7 | 121.7° | 100.8° |
C12 | C11 | C10 | H10 | 116.5° | 114.5° |
C12 | C11 | C10 | H11 | 116.5° | 114.5° |
C12 | C11 | C10 | C9 | 130.6° | 150.6° |
C11 | C12 | C13 | H6 | 129.4° | 89.8° |
C11 | C12 | C13 | H7 | 103.6° | 139.3° |
C11 | C12 | H8 | H9 | 129.3° | 131.1° |
C12 | C11 | H10 | H11 | 129.3° | 131.4° |
C10 | C7 | C8 | H3 | 111.3° | 114.4° |
C7 | C10 | C11 | C9 | 107.7° | 108.6° |
C10 | C7 | C8 | C9 | 18.0° | 24.8° |
C10 | C7 | C8 | H4 | 134.4° | 89.8° |
C10 | C7 | C8 | H5 | 98.5° | 139.3° |
C7 | C10 | C13 | H6 | 0.3° | 144.7° |
C7 | C10 | C13 | H7 | 126.7° | 13.7° |
C7 | C10 | C11 | H10 | 121.7° | 13.7° |
C7 | C10 | C11 | H11 | 5.2° | 144.7° |
C7 | C10 | C9 | H12 | 134.2° | 139.4° |
C7 | C10 | C9 | H13 | 98.5° | 89.5° |
C8 | C7 | C10 | C11 | 142.1° | 100.8° |
C7 | C8 | C9 | H4 | 116.4° | 114.6° |
C7 | C8 | C9 | H5 | 116.4° | 114.5° |
C7 | C8 | H4 | H5 | 129.6° | 131.2° |
C7 | C8 | C9 | H12 | 134.5° | 139.2° |
C7 | C8 | C9 | H13 | 98.1° | 89.7° |
C11 | C10 | C9 | C8 | 143.6° | 100.8° |
C11 | C10 | C7 | H3 | 30.4° | 13.7° |
C11 | C10 | C13 | H6 | 129.3° | 89.5° |
C11 | C10 | C13 | H7 | 103.8° | 139.4° |
C10 | C11 | C12 | H8 | 129.5° | 139.4° |
C10 | C11 | C12 | H9 | 103.6° | 89.8° |
C10 | C11 | H10 | H11 | 129.3° | 131.4° |
C11 | C10 | C9 | H12 | 100.0° | 13.6° |
C11 | C10 | C9 | H13 | 27.3° | 144.7° |
C10 | C9 | C8 | H12 | 116.3° | 114.5° |
C10 | C9 | C8 | H13 | 116.3° | 114.5° |
C9 | C10 | C7 | H3 | 93.8° | 139.5° |
C10 | C9 | C8 | H4 | 134.6° | 89.9° |
C10 | C9 | C8 | H5 | 98.2° | 139.3° |
C9 | C10 | C13 | H6 | 108.6° | 36.2° |
C9 | C10 | C13 | H7 | 18.3° | 94.9° |
C9 | C10 | C11 | H10 | 14.1° | 94.9° |
C9 | C10 | C11 | H11 | 112.9° | 36.1° |
C10 | C9 | H12 | H13 | 129.7° | 131.4° |
C9 | C8 | C7 | H3 | 93.3° | 139.2° |
C9 | C8 | H4 | H5 | 129.7° | 131.1° |
C8 | C9 | H12 | H13 | 129.8° | 131.4° |
H3 | C7 | C8 | H4 | 23.1° | 24.6° |
H3 | C7 | C8 | H5 | 150.3° | 106.3° |
H4 | C8 | C9 | H12 | 109.1° | 24.6° |
H4 | C8 | C9 | H13 | 18.3° | 155.7° |
H5 | C8 | C9 | H12 | 18.2° | 106.2° |
H5 | C8 | C9 | H13 | 145.5° | 24.9° |
H6 | C13 | C12 | H8 | 114.1° | 24.8° |
H6 | C13 | C12 | H9 | 13.0° | 155.6° |
H7 | C13 | C12 | H8 | 12.9° | 106.2° |
H7 | C13 | C12 | H9 | 139.9° | 24.7° |
H8 | C12 | C11 | H10 | 12.9° | 106.2° |
H8 | C12 | C11 | H11 | 114.0° | 24.8° |
H9 | C12 | C11 | H10 | 139.9° | 24.6° |
H9 | C12 | C11 | H11 | 13.0° | 155.6° |
H14 | C | H15 | H16 | 120.0° | 120.0° |
H17 | C3 | C2 | H18 | 1.2° | 0.4° |