LV7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C1 | doub | 1.21Å | 1.24Å | |
C | C1 | sing | 1.51Å | 1.51Å | |
C1 | N | sing | 1.35Å | 1.43Å | |
N | C2 | sing | 1.39Å | 1.46Å | |
C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
C2 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
O1 | C8 | doub | 1.22Å | 1.29Å | |
C8 | C7 | sing | 1.48Å | 1.42Å | |
C8 | N1 | sing | 1.35Å | 1.37Å | |
C7 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
N1 | N2 | sing | 1.37Å | 1.37Å | |
C5 | C6 | sing | 1.38Å | 1.34Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
N | H5 | sing | 0.97Å | 1.00Å | |
C | H6 | sing | 1.09Å | 1.10Å | |
C | H7 | sing | 1.09Å | 1.10Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.08Å | 1.08Å | |
N2 | H10 | sing | 1.01Å | 1.00Å | |
N2 | H11 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C1 | C | 118.6° | 120.0° |
O | C1 | N | 117.5° | 120.0° |
C | C1 | N | 123.8° | 120.0° |
C1 | C | H6 | 109.5° | 109.5° |
C1 | C | H7 | 109.5° | 109.5° |
C1 | C | H8 | 109.5° | 109.4° |
C1 | N | C2 | 130.4° | 120.0° |
C1 | N | H5 | 114.8° | 120.0° |
N | C2 | C3 | 125.1° | 120.2° |
N | C2 | C7 | 117.2° | 120.2° |
C2 | N | H5 | 114.8° | 120.0° |
C3 | C2 | C7 | 117.4° | 119.6° |
C2 | C3 | C4 | 119.6° | 120.1° |
C2 | C3 | H9 | 120.2° | 119.9° |
C2 | C7 | C8 | 118.3° | 120.2° |
C2 | C7 | C6 | 122.4° | 119.6° |
C3 | C4 | C5 | 120.7° | 120.5° |
C3 | C4 | H2 | 119.6° | 119.8° |
C4 | C3 | H9 | 120.2° | 120.0° |
O1 | C8 | C7 | 123.2° | 120.0° |
O1 | C8 | N1 | 118.7° | 120.0° |
C7 | C8 | N1 | 118.1° | 120.0° |
C8 | C7 | C6 | 119.3° | 120.2° |
C8 | N1 | N2 | 112.5° | 120.0° |
C8 | N1 | H1 | 123.7° | 120.0° |
C7 | C6 | C5 | 117.3° | 120.0° |
C7 | C6 | H4 | 121.4° | 120.0° |
C4 | C5 | C6 | 122.5° | 120.3° |
C5 | C4 | H2 | 119.7° | 119.8° |
C4 | C5 | H3 | 118.8° | 119.9° |
N2 | N1 | H1 | 123.8° | 120.0° |
N1 | N2 | H10 | 109.5° | 111.0° |
N1 | N2 | H11 | 109.5° | 111.0° |
C6 | C5 | H3 | 118.7° | 119.8° |
C5 | C6 | H4 | 121.3° | 120.0° |
H6 | C | H7 | 109.5° | 109.5° |
H6 | C | H8 | 109.5° | 109.5° |
H7 | C | H8 | 109.5° | 109.4° |
H10 | N2 | H11 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C1 | C | N | 177.8° | 179.9° |
O | C1 | N | C2 | 176.1° | 5.4° |
O | C1 | N | H5 | 3.9° | 174.7° |
O | C1 | C | H6 | 0.0° | 89.9° |
O | C1 | C | H7 | 120.0° | 150.0° |
O | C1 | C | H8 | 120.0° | 30.1° |
C | C1 | N | C2 | 1.7° | 174.7° |
C | C1 | N | H5 | 178.3° | 5.2° |
C1 | C | H6 | H7 | 120.0° | 120.0° |
C1 | C | H6 | H8 | 120.0° | 120.0° |
C1 | C | H7 | H8 | 120.0° | 119.9° |
C1 | N | C2 | H5 | 180.0° | 179.9° |
C1 | N | C2 | C3 | 8.3° | 34.9° |
C1 | N | C2 | C7 | 177.8° | 145.6° |
N | C1 | C | H6 | 177.8° | 90.0° |
N | C1 | C | H7 | 57.8° | 30.1° |
N | C1 | C | H8 | 62.2° | 150.0° |
N | C2 | C3 | C7 | 174.0° | 179.5° |
N | C2 | C3 | C4 | 172.4° | 180.0° |
N | C2 | C7 | C8 | 4.9° | 0.2° |
N | C2 | C7 | C6 | 173.5° | 179.7° |
N | C2 | C3 | H9 | 7.6° | 0.0° |
C2 | C3 | C4 | H9 | 180.0° | 180.0° |
C3 | C2 | C7 | C8 | 179.3° | 179.7° |
C3 | C2 | C7 | C6 | 1.0° | 0.2° |
C2 | C3 | C4 | C5 | 0.9° | 0.5° |
C2 | C3 | C4 | H2 | 179.1° | 179.7° |
C3 | C2 | N | H5 | 171.7° | 145.0° |
C7 | C2 | C3 | C4 | 1.6° | 0.5° |
C2 | C7 | C8 | O1 | 5.6° | 5.0° |
C2 | C7 | C8 | C6 | 178.4° | 180.0° |
C2 | C7 | C8 | N1 | 174.2° | 175.0° |
C2 | C7 | C6 | C5 | 0.4° | 0.0° |
C2 | C7 | C6 | H4 | 179.6° | 179.9° |
C7 | C2 | N | H5 | 2.2° | 34.5° |
C7 | C2 | C3 | H9 | 178.4° | 179.5° |
C3 | C4 | C5 | H2 | 180.0° | 179.8° |
C3 | C4 | C5 | C6 | 0.6° | 0.2° |
C3 | C4 | C5 | H3 | 179.4° | 179.8° |
O1 | C8 | C7 | N1 | 179.9° | 179.9° |
O1 | C8 | C7 | C6 | 176.0° | 175.0° |
O1 | C8 | N1 | N2 | 6.8° | 0.0° |
O1 | C8 | N1 | H1 | 173.2° | 179.8° |
C7 | C8 | N1 | N2 | 173.3° | 180.0° |
C8 | C7 | C6 | C5 | 177.9° | 180.0° |
C7 | C8 | N1 | H1 | 6.7° | 0.3° |
C8 | C7 | C6 | H4 | 2.1° | 0.1° |
N1 | C8 | C7 | C6 | 4.2° | 5.0° |
C8 | N1 | N2 | H1 | 180.0° | 179.8° |
C8 | N1 | N2 | H10 | 180.0° | 179.7° |
C8 | N1 | N2 | H11 | 60.0° | 56.3° |
C7 | C6 | C5 | C4 | 1.2° | 0.0° |
C7 | C6 | C5 | H4 | 180.0° | 179.9° |
C7 | C6 | C5 | H3 | 178.8° | 180.0° |
C4 | C5 | C6 | H3 | 180.0° | 180.0° |
C4 | C5 | C6 | H4 | 178.8° | 179.9° |
C5 | C4 | C3 | H9 | 179.2° | 179.5° |
N1 | N2 | H10 | H11 | 120.0° | 124.0° |
C6 | C5 | C4 | H2 | 179.4° | 180.0° |
H1 | N1 | N2 | H10 | 0.0° | 0.1° |
H1 | N1 | N2 | H11 | 120.0° | 123.9° |
H2 | C4 | C5 | H3 | 0.6° | 0.0° |
H2 | C4 | C3 | H9 | 0.8° | 0.3° |
H3 | C5 | C6 | H4 | 1.2° | 0.0° |
H6 | C | H7 | H8 | 120.0° | 120.0° |