L4N
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 | 1.41Å | |
C1 | C | sing | 1.51Å | 1.51Å | |
O | C6 | doub | 1.21Å | 1.23Å | |
N1 | C6 | sing | 1.35Å | 1.35Å | |
C12 | C10 | sing | 1.53Å | 1.49Å | |
C12 | C11 | sing | 1.53Å | 1.51Å | |
C6 | C7 | sing | 1.51Å | 1.50Å | |
C13 | C10 | sing | 1.53Å | 1.54Å | |
C13 | C7 | sing | 1.54Å | 1.53Å | |
C10 | C11 | sing | 1.52Å | 1.49Å | |
C10 | C9 | sing | 1.54Å | 1.55Å | |
C7 | C8 | sing | 1.55Å | 1.54Å | |
C9 | C8 | sing | 1.55Å | 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 | 123.3° | 120.7° |
N | C4 | H2 | 118.3° | 119.7° |
C3 | C2 | C1 | 119.7° | 119.2° |
C2 | C3 | H17 | 118.2° | 119.6° |
C3 | C2 | H18 | 120.2° | 120.4° |
C4 | C5 | C1 | 118.9° | 119.0° |
C4 | C5 | N1 | 121.6° | 120.5° |
C5 | C4 | H2 | 118.4° | 119.7° |
C2 | C1 | C5 | 117.3° | 118.4° |
C2 | C1 | C | 120.6° | 120.8° |
C1 | C2 | H18 | 120.1° | 120.4° |
C1 | C5 | N1 | 119.4° | 120.5° |
C5 | C1 | C | 122.1° | 120.8° |
C5 | N1 | C6 | 123.9° | 120.0° |
C5 | N1 | H1 | 118.0° | 120.0° |
C1 | C | H14 | 109.5° | 109.5° |
C1 | C | H15 | 109.4° | 109.5° |
C1 | C | H16 | 109.5° | 109.4° |
O | C6 | N1 | 123.6° | 120.0° |
O | C6 | C7 | 122.1° | 120.0° |
N1 | C6 | C7 | 114.3° | 120.0° |
C6 | N1 | H1 | 118.1° | 120.0° |
C10 | C12 | C11 | 59.7° | 59.9° |
C12 | C10 | C13 | 120.0° | 121.0° |
C12 | C10 | C11 | 60.6° | 60.2° |
C12 | C10 | C9 | 118.8° | 120.8° |
C10 | C12 | H8 | 120.0° | 117.5° |
C10 | C12 | H9 | 120.1° | 117.5° |
C12 | C11 | C10 | 59.7° | 59.9° |
C11 | C12 | H8 | 120.0° | 117.5° |
C11 | C12 | H9 | 120.0° | 117.5° |
C12 | C11 | H10 | 120.0° | 117.5° |
C12 | C11 | H11 | 120.1° | 117.5° |
C6 | C7 | C13 | 112.7° | 110.5° |
C6 | C7 | C8 | 112.9° | 110.5° |
C6 | C7 | H3 | 107.8° | 110.5° |
C10 | C13 | C7 | 103.8° | 106.4° |
C13 | C10 | C11 | 120.2° | 121.1° |
C13 | C10 | C9 | 110.4° | 107.1° |
C10 | C13 | H6 | 110.9° | 110.1° |
C10 | C13 | H7 | 110.9° | 110.1° |
C13 | C7 | C8 | 108.5° | 104.2° |
C13 | C7 | H3 | 107.4° | 110.6° |
C7 | C13 | H6 | 110.9° | 110.1° |
C7 | C13 | H7 | 110.9° | 110.0° |
C11 | C10 | C9 | 119.1° | 120.8° |
C10 | C11 | H10 | 120.1° | 117.6° |
C10 | C11 | H11 | 120.1° | 117.5° |
C10 | C9 | C8 | 104.4° | 104.1° |
C10 | C9 | H12 | 110.7° | 110.5° |
C10 | C9 | H13 | 110.7° | 110.5° |
C7 | C8 | C9 | 105.4° | 102.8° |
C8 | C7 | H3 | 107.3° | 110.5° |
C7 | C8 | H4 | 110.5° | 110.7° |
C7 | C8 | H5 | 110.5° | 110.7° |
C9 | C8 | H4 | 110.5° | 110.8° |
C9 | C8 | H5 | 110.5° | 111.0° |
C8 | C9 | H12 | 110.7° | 110.5° |
C8 | C9 | H13 | 110.8° | 110.5° |
H4 | C8 | H5 | 109.4° | 110.6° |
H6 | C13 | H7 | 109.4° | 110.1° |
H8 | C12 | H9 | 109.5° | 115.6° |
H10 | C11 | H11 | 109.4° | 115.5° |
H12 | C9 | H13 | 109.5° | 110.6° |
H14 | C | H15 | 109.5° | 109.5° |
H14 | C | H16 | 109.5° | 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° | 179.5° |
C3 | N | C4 | C5 | 0.6° | 0.1° |
N | C3 | C2 | C1 | 0.5° | 0.7° |
C3 | N | C4 | H2 | 179.5° | 179.7° |
N | C3 | C2 | H18 | 179.5° | 180.0° |
C4 | N | C3 | C2 | 0.1° | 0.5° |
N | C4 | C5 | H2 | 180.0° | 179.7° |
N | C4 | C5 | C1 | 0.3° | 0.3° |
N | C4 | C5 | N1 | 177.4° | 179.7° |
C4 | N | C3 | H17 | 179.9° | 180.0° |
C3 | C2 | C1 | H18 | 180.0° | 179.3° |
C3 | C2 | C1 | C5 | 0.7° | 0.4° |
C3 | C2 | C1 | C | 176.6° | 179.5° |
C4 | C5 | C1 | C2 | 0.3° | 0.1° |
C4 | C5 | C1 | N1 | 177.8° | 179.9° |
C4 | C5 | C1 | C | 176.9° | 180.0° |
C4 | C5 | N1 | C6 | 65.8° | 24.7° |
C4 | C5 | N1 | H1 | 114.2° | 154.9° |
C2 | C1 | C5 | C | 177.2° | 179.9° |
C2 | C1 | C5 | N1 | 178.0° | 180.0° |
C2 | C1 | C | H14 | 91.4° | 90.0° |
C2 | C1 | C | H15 | 148.6° | 30.1° |
C2 | C1 | C | H16 | 28.6° | 150.1° |
C1 | C2 | C3 | H17 | 179.5° | 179.8° |
C1 | C5 | N1 | C6 | 111.9° | 155.2° |
C1 | C5 | N1 | H1 | 68.1° | 25.1° |
C1 | C5 | C4 | H2 | 179.7° | 180.0° |
C5 | C1 | C | H14 | 91.5° | 89.9° |
C5 | C1 | C | H15 | 28.5° | 150.0° |
C5 | C1 | C | H16 | 148.5° | 30.0° |
C5 | C1 | C2 | H18 | 179.3° | 179.8° |
N1 | C5 | C1 | C | 0.9° | 0.1° |
C5 | N1 | C6 | O | 1.7° | 5.7° |
C5 | N1 | C6 | H1 | 180.0° | 179.7° |
C5 | N1 | C6 | C7 | 178.5° | 174.4° |
N1 | C5 | C4 | H2 | 2.6° | 0.1° |
C1 | C | H14 | H15 | 120.0° | 120.0° |
C1 | C | H14 | H16 | 120.0° | 120.0° |
C1 | C | H15 | H16 | 120.0° | 119.9° |
C | C1 | C2 | H18 | 3.5° | 0.1° |
O | C6 | N1 | C7 | 179.8° | 179.9° |
O | C6 | C7 | C13 | 84.6° | 3.8° |
O | C6 | C7 | C8 | 38.8° | 118.6° |
O | C6 | N1 | H1 | 178.3° | 174.6° |
O | C6 | C7 | H3 | 157.1° | 118.9° |
N1 | C6 | C7 | C13 | 95.2° | 176.3° |
N1 | C6 | C7 | C8 | 141.5° | 61.5° |
N1 | C6 | C7 | H3 | 23.2° | 61.0° |
C10 | C12 | C11 | H8 | 109.4° | 107.5° |
C10 | C12 | C11 | H9 | 109.4° | 107.5° |
C12 | C10 | C13 | C11 | 71.3° | 71.7° |
C12 | C10 | C13 | C9 | 144.0° | 144.1° |
C12 | C10 | C13 | C7 | 141.3° | 144.2° |
C12 | C10 | C11 | C9 | 108.6° | 110.2° |
C12 | C10 | C9 | C8 | 158.5° | 120.9° |
C12 | C10 | C13 | H6 | 22.2° | 96.6° |
C12 | C10 | C13 | H7 | 99.6° | 25.0° |
C10 | C12 | H8 | H9 | 144.9° | 145.8° |
C10 | C12 | C11 | H10 | 109.4° | 107.5° |
C10 | C12 | C11 | H11 | 109.4° | 107.5° |
C12 | C10 | C9 | H12 | 82.3° | 2.2° |
C12 | C10 | C9 | H13 | 39.3° | 120.5° |
C11 | C12 | H8 | H9 | 144.9° | 145.7° |
C12 | C11 | H10 | H11 | 144.9° | 145.7° |
C6 | C7 | C13 | C10 | 107.0° | 142.2° |
C6 | C7 | C13 | C8 | 125.7° | 118.7° |
C6 | C7 | C13 | H3 | 118.5° | 122.6° |
C6 | C7 | C8 | H3 | 118.6° | 122.5° |
C6 | C7 | C8 | C9 | 97.6° | 156.4° |
C7 | C6 | N1 | H1 | 1.5° | 5.3° |
C6 | C7 | C8 | H4 | 21.8° | 38.0° |
C6 | C7 | C8 | H5 | 143.0° | 85.0° |
C6 | C7 | C13 | H6 | 12.1° | 98.5° |
C6 | C7 | C13 | H7 | 133.9° | 23.0° |
C10 | C13 | C7 | H6 | 119.1° | 119.2° |
C10 | C13 | C7 | H7 | 119.1° | 119.2° |
C13 | C10 | C11 | C9 | 141.8° | 139.4° |
C10 | C13 | C7 | C8 | 18.7° | 23.6° |
C13 | C10 | C9 | C8 | 14.0° | 23.3° |
C10 | C13 | C7 | H3 | 134.5° | 95.2° |
C10 | C13 | H6 | H7 | 122.6° | 121.5° |
C13 | C10 | C12 | H8 | 0.5° | 3.0° |
C13 | C10 | C12 | H9 | 140.7° | 142.1° |
C13 | C10 | C11 | H10 | 0.3° | 142.1° |
C13 | C10 | C11 | H11 | 140.9° | 2.9° |
C13 | C10 | C9 | H12 | 133.2° | 142.0° |
C13 | C10 | C9 | H13 | 105.2° | 95.3° |
C7 | C13 | C10 | C11 | 147.4° | 144.1° |
C7 | C13 | C10 | C9 | 2.7° | 0.2° |
C13 | C7 | C8 | H3 | 115.8° | 118.8° |
C13 | C7 | C8 | C9 | 28.0° | 37.7° |
C13 | C7 | C8 | H4 | 147.4° | 80.6° |
C13 | C7 | C8 | H5 | 91.4° | 156.3° |
C7 | C13 | H6 | H7 | 122.6° | 121.5° |
C11 | C10 | C9 | C8 | 131.1° | 167.6° |
C11 | C10 | C13 | H6 | 93.5° | 24.8° |
C11 | C10 | C13 | H7 | 28.3° | 96.7° |
C10 | C11 | H10 | H11 | 144.9° | 145.7° |
C11 | C10 | C9 | H12 | 12.0° | 73.7° |
C11 | C10 | C9 | H13 | 109.7° | 49.0° |
C10 | C9 | C8 | C7 | 25.0° | 37.5° |
C10 | C9 | C8 | H12 | 119.2° | 118.7° |
C10 | C9 | C8 | H13 | 119.2° | 118.6° |
C10 | C9 | C8 | H4 | 144.3° | 80.8° |
C10 | C9 | C8 | H5 | 94.4° | 155.9° |
C9 | C10 | C13 | H6 | 121.8° | 119.4° |
C9 | C10 | C13 | H7 | 116.4° | 119.1° |
C9 | C10 | C12 | H8 | 141.6° | 142.2° |
C9 | C10 | C12 | H9 | 0.4° | 2.9° |
C9 | C10 | C11 | H10 | 142.0° | 2.7° |
C9 | C10 | C11 | H11 | 0.8° | 142.3° |
C10 | C9 | H12 | H13 | 122.4° | 122.7° |
C7 | C8 | C9 | H4 | 119.4° | 118.3° |
C7 | C8 | C9 | H5 | 119.4° | 118.4° |
C7 | C8 | H4 | H5 | 121.9° | 123.1° |
C8 | C7 | C13 | H6 | 137.9° | 142.8° |
C8 | C7 | C13 | H7 | 100.4° | 95.7° |
C7 | C8 | C9 | H12 | 144.1° | 156.2° |
C7 | C8 | C9 | H13 | 94.2° | 81.1° |
C9 | C8 | C7 | H3 | 143.8° | 81.1° |
C9 | C8 | H4 | H5 | 121.9° | 123.5° |
C8 | C9 | H12 | H13 | 122.4° | 122.6° |
H3 | C7 | C8 | H4 | 96.8° | 160.5° |
H3 | C7 | C8 | H5 | 24.4° | 37.5° |
H3 | C7 | C13 | H6 | 106.4° | 24.1° |
H3 | C7 | C13 | H7 | 15.4° | 145.6° |
H4 | C8 | C9 | H12 | 96.5° | 37.9° |
H4 | C8 | C9 | H13 | 25.1° | 160.6° |
H5 | C8 | C9 | H12 | 24.8° | 85.4° |
H5 | C8 | C9 | H13 | 146.4° | 37.3° |
H8 | C12 | C11 | H10 | 0.0° | 145.0° |
H8 | C12 | C11 | H11 | 141.2° | 0.0° |
H9 | C12 | C11 | H10 | 141.2° | 0.0° |
H9 | C12 | C11 | H11 | 0.0° | 145.1° |
H14 | C | H15 | H16 | 120.0° | 120.0° |
H17 | C3 | C2 | H18 | 0.5° | 0.5° |