L4Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | N1 | sing | 1.47Å | 1.46Å | |
N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
N2 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
N1 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
C | C1 | sing | 1.51Å | 1.50Å | |
C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
C3 | C4 | sing | 1.51Å | 1.50Å | |
O | C5 | doub | 1.22Å | 1.21Å | |
C5 | O1 | sing | 1.35Å | 1.36Å | |
C5 | N | sing | 1.35Å | 1.35Å | |
C4 | N | sing | 1.46Å | 1.45Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
N | H7 | sing | 0.97Å | 1.00Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | N1 | N2 | 119.3° | 126.1° |
C6 | N1 | C3 | 128.7° | 126.0° |
N1 | C6 | H4 | 109.5° | 109.5° |
N1 | C6 | H5 | 109.5° | 109.4° |
N1 | C6 | H6 | 109.5° | 109.5° |
N1 | N2 | C1 | 104.8° | 108.2° |
N2 | N1 | C3 | 112.1° | 107.9° |
N2 | C1 | C | 120.4° | 125.9° |
N2 | C1 | C2 | 111.1° | 108.2° |
N1 | C3 | C2 | 106.4° | 107.8° |
N1 | C3 | C4 | 122.2° | 126.1° |
C | C1 | C2 | 128.5° | 125.9° |
C1 | C | H8 | 109.5° | 109.5° |
C1 | C | H9 | 109.5° | 109.5° |
C1 | C | H10 | 109.5° | 109.4° |
C1 | C2 | C3 | 105.6° | 107.9° |
C1 | C2 | H1 | 127.2° | 126.1° |
C2 | C3 | C4 | 131.4° | 126.1° |
C3 | C2 | H1 | 127.2° | 126.0° |
C3 | C4 | N | 107.2° | 109.5° |
C3 | C4 | H2 | 110.0° | 109.5° |
C3 | C4 | H3 | 110.0° | 109.4° |
O | C5 | O1 | 120.7° | 120.0° |
O | C5 | N | 125.2° | 120.0° |
O1 | C5 | N | 114.1° | 120.0° |
C5 | O1 | H11 | 109.5° | 117.0° |
C5 | N | C4 | 121.5° | 120.0° |
C5 | N | H7 | 119.2° | 120.0° |
N | C4 | H2 | 110.0° | 109.5° |
N | C4 | H3 | 110.0° | 109.4° |
C4 | N | H7 | 119.3° | 120.0° |
H2 | C4 | H3 | 109.5° | 109.5° |
H4 | C6 | H5 | 109.4° | 109.5° |
H4 | C6 | H6 | 109.5° | 109.5° |
H5 | C6 | H6 | 109.5° | 109.5° |
H8 | C | H9 | 109.5° | 109.5° |
H8 | C | H10 | 109.5° | 109.4° |
H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | N1 | N2 | C3 | 180.0° | 179.7° |
C6 | N1 | N2 | C1 | 179.8° | 179.8° |
C6 | N1 | C3 | C2 | 179.7° | 180.0° |
C6 | N1 | C3 | C4 | 1.6° | 0.1° |
N1 | C6 | H4 | H5 | 120.0° | 119.9° |
N1 | C6 | H4 | H6 | 120.0° | 120.0° |
N1 | C6 | H5 | H6 | 120.0° | 120.0° |
N1 | N2 | C1 | C | 179.9° | 179.9° |
N1 | N2 | C1 | C2 | 0.1° | 0.4° |
N2 | N1 | C3 | C2 | 0.2° | 0.3° |
N2 | N1 | C3 | C4 | 178.4° | 179.8° |
N2 | N1 | C6 | H4 | 0.0° | 90.3° |
N2 | N1 | C6 | H5 | 120.0° | 29.7° |
N2 | N1 | C6 | H6 | 120.0° | 149.7° |
C1 | N2 | N1 | C3 | 0.2° | 0.5° |
N2 | C1 | C | C2 | 179.9° | 179.7° |
N2 | C1 | C2 | C3 | 0.1° | 0.2° |
N2 | C1 | C2 | H1 | 179.9° | 179.7° |
N2 | C1 | C | H8 | 0.0° | 89.7° |
N2 | C1 | C | H9 | 120.0° | 30.4° |
N2 | C1 | C | H10 | 120.0° | 150.3° |
N1 | C3 | C2 | C1 | 0.2° | 0.0° |
N1 | C3 | C2 | C4 | 178.5° | 179.9° |
N1 | C3 | C4 | N | 76.2° | 85.0° |
N1 | C3 | C2 | H1 | 179.8° | 180.0° |
N1 | C3 | C4 | H2 | 164.1° | 35.1° |
N1 | C3 | C4 | H3 | 43.4° | 155.1° |
C3 | N1 | C6 | H4 | 180.0° | 90.0° |
C3 | N1 | C6 | H5 | 60.0° | 150.0° |
C3 | N1 | C6 | H6 | 60.0° | 30.0° |
C | C1 | C2 | C3 | 180.0° | 180.0° |
C | C1 | C2 | H1 | 0.0° | 0.0° |
C1 | C | H8 | H9 | 120.0° | 120.0° |
C1 | C | H8 | H10 | 120.0° | 120.0° |
C1 | C | H9 | H10 | 120.0° | 120.0° |
C1 | C2 | C3 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 178.3° | 179.9° |
C2 | C1 | C | H8 | 179.9° | 90.0° |
C2 | C1 | C | H9 | 59.9° | 150.0° |
C2 | C1 | C | H10 | 60.1° | 30.0° |
C2 | C3 | C4 | N | 102.0° | 94.9° |
C2 | C3 | C4 | H2 | 17.6° | 145.1° |
C2 | C3 | C4 | H3 | 138.3° | 25.1° |
C3 | C4 | N | C5 | 123.1° | 180.0° |
C3 | C4 | N | H2 | 119.6° | 120.0° |
C3 | C4 | N | H3 | 119.7° | 119.9° |
C4 | C3 | C2 | H1 | 1.7° | 0.2° |
C3 | C4 | H2 | H3 | 121.0° | 119.9° |
C3 | C4 | N | H7 | 56.9° | 0.0° |
O | C5 | O1 | N | 178.8° | 179.9° |
O | C5 | N | C4 | 2.1° | 0.0° |
O | C5 | N | H7 | 177.9° | 180.0° |
O | C5 | O1 | H11 | 0.0° | 0.0° |
O1 | C5 | N | C4 | 179.2° | 180.0° |
O1 | C5 | N | H7 | 0.8° | 0.0° |
C5 | N | C4 | H7 | 180.0° | 180.0° |
C5 | N | C4 | H2 | 117.3° | 60.0° |
C5 | N | C4 | H3 | 3.4° | 60.0° |
N | C5 | O1 | H11 | 178.8° | 180.0° |
N | C4 | H2 | H3 | 121.1° | 120.0° |
H2 | C4 | N | H7 | 62.7° | 120.0° |
H3 | C4 | N | H7 | 176.6° | 120.0° |
H4 | C6 | H5 | H6 | 119.9° | 120.0° |
H8 | C | H9 | H10 | 120.0° | 120.0° |