V6Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | C8 | sing | 1.47Å | 1.47Å | |
C8 | C3 | sing | 1.51Å | 1.50Å | |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
O7 | C4 | sing | 1.36Å | 1.37Å | |
O7 | C9 | sing | 1.43Å | 1.42Å | |
C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C9 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
N10 | H10 | sing | 1.01Å | 1.00Å | |
N10 | H11 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N10 | C8 | C3 | 112.3° | 109.5° |
N10 | C8 | H5 | 108.8° | 109.5° |
N10 | C8 | H6 | 108.8° | 109.4° |
C8 | N10 | H10 | 109.5° | 111.0° |
C8 | N10 | H11 | 109.5° | 111.0° |
C8 | C3 | C2 | 121.4° | 120.0° |
C8 | C3 | C4 | 120.4° | 120.1° |
C3 | C8 | H5 | 108.8° | 109.5° |
C3 | C8 | H6 | 108.8° | 109.4° |
C2 | C3 | C4 | 118.2° | 119.9° |
C3 | C2 | C1 | 121.0° | 120.1° |
C3 | C2 | H2 | 119.5° | 120.0° |
C3 | C4 | O7 | 115.1° | 120.0° |
C3 | C4 | C5 | 120.8° | 119.9° |
C2 | C1 | C6 | 119.9° | 120.1° |
C2 | C1 | H1 | 120.1° | 120.0° |
C1 | C2 | H2 | 119.5° | 120.0° |
C4 | O7 | C9 | 117.4° | 117.0° |
O7 | C4 | C5 | 124.0° | 120.1° |
O7 | C9 | H7 | 109.5° | 109.5° |
O7 | C9 | H8 | 109.5° | 109.5° |
O7 | C9 | H9 | 109.5° | 109.5° |
C4 | C5 | C6 | 119.7° | 119.9° |
C4 | C5 | H3 | 120.2° | 120.0° |
C1 | C6 | C5 | 120.5° | 120.1° |
C6 | C1 | H1 | 120.1° | 119.9° |
C1 | C6 | H4 | 119.8° | 120.0° |
C6 | C5 | H3 | 120.2° | 120.0° |
C5 | C6 | H4 | 119.7° | 119.9° |
H5 | C8 | H6 | 109.5° | 109.5° |
H7 | C9 | H8 | 109.5° | 109.5° |
H7 | C9 | H9 | 109.5° | 109.5° |
H8 | C9 | H9 | 109.4° | 109.4° |
H10 | N10 | H11 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C8 | C3 | H5 | 120.4° | 120.0° |
N10 | C8 | C3 | H6 | 120.4° | 119.9° |
N10 | C8 | C3 | C2 | 93.5° | 100.1° |
N10 | C8 | C3 | C4 | 86.2° | 80.0° |
N10 | C8 | H5 | H6 | 118.7° | 119.9° |
C8 | N10 | H10 | H11 | 120.0° | 124.0° |
C8 | C3 | C2 | C4 | 179.7° | 179.9° |
C8 | C3 | C2 | C1 | 179.9° | 180.0° |
C8 | C3 | C4 | O7 | 0.1° | 0.1° |
C8 | C3 | C4 | C5 | 179.6° | 180.0° |
C8 | C3 | C2 | H2 | 0.1° | 0.0° |
C3 | C8 | H5 | H6 | 118.7° | 120.0° |
C3 | C8 | N10 | H10 | 180.0° | 56.1° |
C3 | C8 | N10 | H11 | 60.0° | 179.9° |
C3 | C2 | C1 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | O7 | 179.8° | 180.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.1° |
C3 | C2 | C1 | C6 | 0.3° | 0.0° |
C3 | C2 | C1 | H1 | 179.7° | 179.8° |
C2 | C3 | C8 | H5 | 26.9° | 20.0° |
C2 | C3 | C8 | H6 | 146.1° | 140.0° |
C4 | C3 | C2 | C1 | 0.2° | 0.1° |
C3 | C4 | O7 | C5 | 179.6° | 179.9° |
C3 | C4 | O7 | C9 | 179.6° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.1° |
C4 | C3 | C2 | H2 | 179.8° | 180.0° |
C3 | C4 | C5 | H3 | 179.7° | 180.0° |
C4 | C3 | C8 | H5 | 153.3° | 160.0° |
C4 | C3 | C8 | H6 | 34.2° | 40.0° |
C2 | C1 | C6 | H1 | 180.0° | 179.8° |
C2 | C1 | C6 | C5 | 0.2° | 0.0° |
C2 | C1 | C6 | H4 | 179.8° | 179.8° |
O7 | C4 | C5 | C6 | 179.9° | 179.9° |
O7 | C4 | C5 | H3 | 0.1° | 0.1° |
C4 | O7 | C9 | H7 | 180.0° | 60.0° |
C4 | O7 | C9 | H8 | 60.0° | 60.0° |
C4 | O7 | C9 | H9 | 60.0° | 180.0° |
C9 | O7 | C4 | C5 | 0.7° | 0.1° |
O7 | C9 | H7 | H8 | 120.0° | 120.0° |
O7 | C9 | H7 | H9 | 120.0° | 120.0° |
O7 | C9 | H8 | H9 | 120.0° | 120.0° |
C4 | C5 | C6 | C1 | 0.1° | 0.0° |
C4 | C5 | C6 | H3 | 180.0° | 180.0° |
C4 | C5 | C6 | H4 | 179.9° | 179.7° |
C1 | C6 | C5 | H4 | 180.0° | 179.7° |
C6 | C1 | C2 | H2 | 179.6° | 180.0° |
C1 | C6 | C5 | H3 | 179.9° | 179.9° |
C5 | C6 | C1 | H1 | 179.8° | 179.8° |
H1 | C1 | C2 | H2 | 0.4° | 0.2° |
H1 | C1 | C6 | H4 | 0.2° | 0.0° |
H3 | C5 | C6 | H4 | 0.1° | 0.2° |
H5 | C8 | N10 | H10 | 59.6° | 64.0° |
H5 | C8 | N10 | H11 | 60.4° | 60.0° |
H6 | C8 | N10 | H10 | 59.6° | 176.0° |
H6 | C8 | N10 | H11 | 179.6° | 60.0° |
H7 | C9 | H8 | H9 | 120.0° | 120.0° |