V7L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
C8 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
N2 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
C4 | N1 | sing | 1.39Å | 1.42Å | |
N1 | C3 | sing | 1.47Å | 1.44Å | |
N1 | C2 | sing | 1.35Å | 1.33Å | |
C2 | O | doub | 1.21Å | 1.21Å | |
C2 | C1 | sing | 1.51Å | 1.54Å | |
N | C1 | sing | 1.47Å | 1.52Å | |
N | C | sing | 1.47Å | 1.51Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
N | H10 | sing | 1.01Å | 1.00Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C | H13 | sing | 1.09Å | 1.10Å | |
C | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C7 | C6 | 118.9° | 119.3° |
C7 | C8 | N2 | 123.1° | 120.8° |
C8 | C7 | H1 | 120.5° | 120.4° |
C7 | C8 | H2 | 118.4° | 119.6° |
C7 | C6 | C5 | 119.3° | 118.5° |
C6 | C7 | H1 | 120.5° | 120.3° |
C7 | C6 | H6 | 120.3° | 120.8° |
C8 | N2 | C4 | 115.9° | 121.6° |
N2 | C8 | H2 | 118.4° | 119.6° |
C6 | C5 | C4 | 117.2° | 119.1° |
C6 | C5 | H5 | 121.4° | 120.5° |
C5 | C6 | H6 | 120.3° | 120.7° |
N2 | C4 | C5 | 125.5° | 120.6° |
N2 | C4 | N1 | 115.7° | 119.7° |
C5 | C4 | N1 | 118.8° | 119.7° |
C4 | C5 | H5 | 121.4° | 120.4° |
C4 | N1 | C3 | 115.5° | 120.0° |
C4 | N1 | C2 | 115.7° | 120.0° |
C3 | N1 | C2 | 116.4° | 120.0° |
N1 | C3 | H7 | 109.5° | 109.4° |
N1 | C3 | H8 | 109.4° | 109.5° |
N1 | C3 | H9 | 109.4° | 109.5° |
N1 | C2 | O | 124.2° | 120.0° |
N1 | C2 | C1 | 114.6° | 120.0° |
O | C2 | C1 | 121.1° | 120.0° |
C2 | C1 | N | 108.5° | 109.4° |
C2 | C1 | H3 | 109.7° | 109.5° |
C2 | C1 | H4 | 109.7° | 109.4° |
C1 | N | C | 109.8° | 111.0° |
N | C1 | H3 | 109.7° | 109.5° |
N | C1 | H4 | 109.7° | 109.5° |
C1 | N | H10 | 109.4° | 111.0° |
C | N | H10 | 109.3° | 111.0° |
N | C | H12 | 109.5° | 109.5° |
N | C | H13 | 109.5° | 109.5° |
N | C | H14 | 109.4° | 109.5° |
H3 | C1 | H4 | 109.5° | 109.5° |
H7 | C3 | H8 | 109.4° | 109.5° |
H7 | C3 | H9 | 109.5° | 109.5° |
H8 | C3 | H9 | 109.5° | 109.5° |
H12 | C | H13 | 109.5° | 109.4° |
H12 | C | H14 | 109.5° | 109.4° |
H13 | C | H14 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C7 | C6 | H1 | 180.0° | 179.7° |
C7 | C8 | N2 | H2 | 180.0° | 179.9° |
C8 | C7 | C6 | C5 | 0.4° | 0.0° |
C7 | C8 | N2 | C4 | 0.3° | 0.1° |
C8 | C7 | C6 | H6 | 179.6° | 180.0° |
C6 | C7 | C8 | N2 | 0.5° | 0.0° |
C7 | C6 | C5 | H6 | 180.0° | 179.9° |
C7 | C6 | C5 | C4 | 0.5° | 0.0° |
C6 | C7 | C8 | H2 | 179.5° | 179.9° |
C7 | C6 | C5 | H5 | 179.5° | 179.9° |
C8 | N2 | C4 | C5 | 1.4° | 0.1° |
C8 | N2 | C4 | N1 | 176.3° | 180.0° |
N2 | C8 | C7 | H1 | 179.5° | 179.8° |
C6 | C5 | C4 | N2 | 1.5° | 0.0° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | N1 | 176.1° | 180.0° |
C5 | C6 | C7 | H1 | 179.6° | 179.7° |
N2 | C4 | C5 | N1 | 177.6° | 180.0° |
N2 | C4 | N1 | C3 | 9.9° | 175.0° |
N2 | C4 | N1 | C2 | 131.0° | 4.7° |
C4 | N2 | C8 | H2 | 179.7° | 180.0° |
N2 | C4 | C5 | H5 | 178.5° | 180.0° |
C5 | C4 | N1 | C3 | 167.9° | 5.0° |
C5 | C4 | N1 | C2 | 51.2° | 175.3° |
C4 | C5 | C6 | H6 | 179.5° | 180.0° |
C4 | N1 | C3 | C2 | 140.7° | 179.7° |
C4 | N1 | C2 | O | 73.2° | 0.4° |
C4 | N1 | C2 | C1 | 107.6° | 179.7° |
N1 | C4 | C5 | H5 | 3.9° | 0.1° |
C4 | N1 | C3 | H7 | 180.0° | 90.3° |
C4 | N1 | C3 | H8 | 60.0° | 29.7° |
C4 | N1 | C3 | H9 | 60.0° | 149.7° |
C3 | N1 | C2 | O | 146.2° | 180.0° |
C3 | N1 | C2 | C1 | 33.0° | 0.1° |
N1 | C3 | H7 | H8 | 120.0° | 120.0° |
N1 | C3 | H7 | H9 | 120.0° | 120.0° |
N1 | C3 | H8 | H9 | 120.0° | 120.0° |
N1 | C2 | O | C1 | 179.2° | 179.9° |
N1 | C2 | C1 | N | 101.4° | 180.0° |
N1 | C2 | C1 | H3 | 18.5° | 60.0° |
N1 | C2 | C1 | H4 | 138.8° | 60.1° |
C2 | N1 | C3 | H7 | 39.3° | 90.0° |
C2 | N1 | C3 | H8 | 80.7° | 149.9° |
C2 | N1 | C3 | H9 | 159.3° | 29.9° |
O | C2 | C1 | N | 79.4° | 0.0° |
O | C2 | C1 | H3 | 160.8° | 119.9° |
O | C2 | C1 | H4 | 40.5° | 120.0° |
C2 | C1 | N | H3 | 119.8° | 120.0° |
C2 | C1 | N | H4 | 119.9° | 119.9° |
C2 | C1 | N | C | 151.5° | 180.0° |
C2 | C1 | H3 | H4 | 120.4° | 120.0° |
C2 | C1 | N | H10 | 31.5° | 56.0° |
C1 | N | C | H10 | 120.1° | 123.9° |
N | C1 | H3 | H4 | 120.4° | 120.0° |
C1 | N | C | H12 | 180.0° | 60.0° |
C1 | N | C | H13 | 60.0° | 60.0° |
C1 | N | C | H14 | 60.0° | 180.0° |
C | N | C1 | H3 | 88.7° | 60.0° |
C | N | C1 | H4 | 31.6° | 60.0° |
N | C | H12 | H13 | 120.0° | 120.0° |
N | C | H12 | H14 | 120.0° | 120.1° |
N | C | H13 | H14 | 120.0° | 120.0° |
H1 | C7 | C8 | H2 | 0.5° | 0.3° |
H1 | C7 | C6 | H6 | 0.4° | 0.2° |
H3 | C1 | N | H10 | 151.3° | 176.0° |
H4 | C1 | N | H10 | 88.4° | 63.9° |
H5 | C5 | C6 | H6 | 0.6° | 0.0° |
H7 | C3 | H8 | H9 | 120.0° | 120.0° |
H10 | N | C | H12 | 59.9° | 176.1° |
H10 | N | C | H13 | 179.9° | 63.9° |
H10 | N | C | H14 | 60.1° | 56.1° |
H12 | C | H13 | H14 | 120.0° | 119.9° |