LZ5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | doub | 1.20Å | 1.20Å | |
C2 | N3 | sing | 1.35Å | 1.35Å | |
C2 | C10 | sing | 1.47Å | 1.47Å | |
N3 | C4 | sing | 1.40Å | 1.40Å | |
C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | N15 | doub | 1.31Å | 1.31Å | Aromatic |
C11 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
C12 | N13 | sing | 1.34Å | 1.34Å | Aromatic |
N13 | N15 | sing | 1.36Å | 1.36Å | Aromatic |
N3 | H3 | sing | 1.00Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
N13 | H13 | sing | 1.00Å | 1.00Å | |
C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C2 | N3 | 122.8° | 122.8° |
O1 | C2 | C10 | 120.9° | 120.9° |
N3 | C2 | C10 | 116.3° | 116.3° |
C2 | N3 | C4 | 126.5° | 126.5° |
C2 | N3 | H3 | 116.7° | 116.7° |
C2 | C10 | C11 | 127.2° | 127.2° |
C2 | C10 | N15 | 120.7° | 120.7° |
N3 | C4 | C5 | 120.5° | 120.5° |
N3 | C4 | C9 | 120.4° | 120.4° |
C4 | N3 | H3 | 116.7° | 116.7° |
C5 | C4 | C9 | 119.2° | 119.2° |
C4 | C5 | C6 | 120.2° | 120.2° |
C4 | C5 | H5 | 119.9° | 119.9° |
C4 | C9 | C8 | 120.2° | 120.2° |
C4 | C9 | H9 | 119.9° | 119.9° |
C5 | C6 | C7 | 120.0° | 120.0° |
C6 | C5 | H5 | 119.9° | 119.9° |
C5 | C6 | H6 | 120.0° | 120.0° |
C6 | C7 | C8 | 120.2° | 120.2° |
C7 | C6 | H6 | 120.0° | 120.0° |
C6 | C7 | H7 | 119.9° | 119.9° |
C7 | C8 | C9 | 120.2° | 120.2° |
C8 | C7 | H7 | 119.9° | 119.9° |
C7 | C8 | H8 | 119.9° | 119.9° |
C8 | C9 | H9 | 119.9° | 119.9° |
C9 | C8 | H8 | 119.9° | 119.9° |
C11 | C10 | N15 | 112.0° | 112.0° |
C10 | C11 | C12 | 105.1° | 105.1° |
C10 | C11 | H11 | 127.4° | 127.4° |
C10 | N15 | N13 | 104.3° | 104.3° |
C11 | C12 | N13 | 106.9° | 106.9° |
C12 | C11 | H11 | 127.5° | 127.5° |
C11 | C12 | H12 | 126.6° | 126.6° |
C12 | N13 | N15 | 111.6° | 111.6° |
C12 | N13 | H13 | 124.2° | 124.2° |
N13 | C12 | H12 | 126.5° | 126.5° |
N15 | N13 | H13 | 124.2° | 124.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | N3 | C10 | 177.7° | 177.7° |
O1 | C2 | N3 | C4 | 9.4° | 9.4° |
O1 | C2 | C10 | C11 | 2.6° | 2.6° |
O1 | C2 | C10 | N15 | 179.6° | 179.6° |
O1 | C2 | N3 | H3 | 170.6° | 170.6° |
C2 | N3 | C4 | H3 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 37.8° | 37.8° |
C2 | N3 | C4 | C9 | 142.7° | 142.7° |
N3 | C2 | C10 | C11 | 175.2° | 175.2° |
N3 | C2 | C10 | N15 | 2.6° | 2.6° |
C10 | C2 | N3 | C4 | 168.3° | 168.3° |
C2 | C10 | C11 | N15 | 178.0° | 178.0° |
C2 | C10 | C11 | C12 | 179.1° | 179.1° |
C2 | C10 | N15 | N13 | 179.3° | 179.3° |
C10 | C2 | N3 | H3 | 11.7° | 11.7° |
C2 | C10 | C11 | H11 | 0.9° | 0.9° |
N3 | C4 | C5 | C9 | 179.6° | 179.6° |
N3 | C4 | C5 | C6 | 179.8° | 179.8° |
N3 | C4 | C9 | C8 | 179.7° | 179.7° |
N3 | C4 | C5 | H5 | 0.1° | 0.1° |
N3 | C4 | C9 | H9 | 0.3° | 0.3° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.4° | 0.4° |
C5 | C4 | C9 | C8 | 0.8° | 0.8° |
C5 | C4 | N3 | H3 | 142.3° | 142.3° |
C5 | C4 | C9 | H9 | 179.2° | 179.2° |
C4 | C5 | C6 | H6 | 179.6° | 179.6° |
C9 | C4 | C5 | C6 | 0.6° | 0.6° |
C4 | C9 | C8 | C7 | 0.7° | 0.7° |
C4 | C9 | C8 | H9 | 180.0° | 180.0° |
C9 | C4 | N3 | H3 | 37.3° | 37.3° |
C9 | C4 | C5 | H5 | 179.4° | 179.4° |
C4 | C9 | C8 | H8 | 179.3° | 179.3° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.3° | 0.3° |
C5 | C6 | C7 | H7 | 179.7° | 179.7° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.5° | 0.5° |
C7 | C6 | C5 | H5 | 179.6° | 179.6° |
C6 | C7 | C8 | H8 | 179.5° | 179.5° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | H9 | 179.3° | 179.3° |
C8 | C7 | C6 | H6 | 179.7° | 179.7° |
C9 | C8 | C7 | H7 | 179.5° | 179.5° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | N13 | 0.5° | 0.5° |
C11 | C10 | N15 | N13 | 1.2° | 1.2° |
C10 | C11 | C12 | H12 | 179.5° | 179.4° |
N15 | C10 | C11 | C12 | 1.1° | 1.1° |
C10 | N15 | N13 | C12 | 0.8° | 0.8° |
N15 | C10 | C11 | H11 | 178.9° | 178.9° |
C10 | N15 | N13 | H13 | 179.2° | 179.2° |
C11 | C12 | N13 | H12 | 180.0° | 180.0° |
C11 | C12 | N13 | N15 | 0.2° | 0.2° |
C11 | C12 | N13 | H13 | 179.8° | 179.8° |
C12 | N13 | N15 | H13 | 180.0° | 180.0° |
N13 | C12 | C11 | H11 | 179.5° | 179.5° |
N15 | N13 | C12 | H12 | 179.8° | 179.9° |
H5 | C5 | C6 | H6 | 0.4° | 0.4° |
H9 | C9 | C8 | H8 | 0.7° | 0.7° |
H6 | C6 | C7 | H7 | 0.3° | 0.3° |
H7 | C7 | C8 | H8 | 0.5° | 0.5° |
H11 | C11 | C12 | H12 | 0.5° | 0.6° |
H13 | N13 | C12 | H12 | 0.2° | 0.2° |