N6M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
N9 | H9 | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N6 | H6 | sing | 0.97Å | 1.00Å | |
N6 | C11 | sing | 1.47Å | 1.48Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H113 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | N9 | C4 | 108.1° | 107.5° |
N9 | C8 | N7 | 108.6° | 109.9° |
C8 | N9 | H9 | 125.9° | 126.3° |
N9 | C8 | H8 | 125.7° | 125.0° |
N9 | C4 | C5 | 108.0° | 106.0° |
N9 | C4 | N3 | 132.7° | 134.9° |
C4 | N9 | H9 | 126.0° | 126.3° |
C8 | N7 | C5 | 109.1° | 109.5° |
N7 | C8 | H8 | 125.7° | 125.1° |
N7 | C5 | C6 | 134.9° | 134.7° |
N7 | C5 | C4 | 106.3° | 107.1° |
C6 | C5 | C4 | 118.8° | 118.1° |
C5 | C6 | N6 | 125.0° | 120.7° |
C5 | C6 | N1 | 118.5° | 118.5° |
C5 | C4 | N3 | 119.3° | 119.1° |
N6 | C6 | N1 | 116.5° | 120.8° |
C6 | N6 | H6 | 104.5° | 120.0° |
C6 | N6 | C11 | 125.3° | 120.0° |
C6 | N1 | C2 | 120.7° | 121.2° |
N1 | C2 | N3 | 122.1° | 122.5° |
N1 | C2 | H2 | 119.0° | 118.8° |
C2 | N3 | C4 | 120.6° | 120.6° |
N3 | C2 | H2 | 119.0° | 118.7° |
H6 | N6 | C11 | 104.5° | 120.0° |
N6 | C11 | H111 | 109.5° | 109.5° |
N6 | C11 | H112 | 109.4° | 109.5° |
N6 | C11 | H113 | 109.5° | 109.5° |
H111 | C11 | H112 | 109.5° | 109.5° |
H111 | C11 | H113 | 109.4° | 109.4° |
H112 | C11 | H113 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | N9 | C4 | H9 | 180.0° | 180.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.3° | 0.0° |
C8 | N9 | C4 | C5 | 0.0° | 0.0° |
C8 | N9 | C4 | N3 | 179.5° | 180.0° |
C4 | N9 | C8 | N7 | 0.2° | 0.0° |
N9 | C4 | C5 | N7 | 0.2° | 0.0° |
N9 | C4 | C5 | C6 | 179.9° | 180.0° |
N9 | C4 | C5 | N3 | 179.6° | 180.0° |
N9 | C4 | N3 | C2 | 179.9° | 179.7° |
C4 | N9 | C8 | H8 | 179.8° | 180.0° |
C8 | N7 | C5 | C6 | 179.8° | 180.0° |
C8 | N7 | C5 | C4 | 0.3° | 0.0° |
N7 | C8 | N9 | H9 | 179.9° | 180.0° |
N7 | C5 | C6 | C4 | 179.9° | 180.0° |
N7 | C5 | C6 | N6 | 0.7° | 0.1° |
N7 | C5 | C6 | N1 | 179.5° | 179.7° |
N7 | C5 | C4 | N3 | 179.8° | 180.0° |
C5 | N7 | C8 | H8 | 179.7° | 180.0° |
C5 | C6 | N6 | N1 | 178.9° | 179.7° |
C5 | C6 | N1 | C2 | 0.7° | 0.2° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
C5 | C6 | N6 | H6 | 125.0° | 0.3° |
C5 | C6 | N6 | C11 | 5.0° | 179.7° |
C4 | C5 | C6 | N6 | 179.2° | 179.9° |
C4 | C5 | C6 | N1 | 0.4° | 0.3° |
C5 | C4 | N3 | C2 | 0.6° | 0.3° |
C5 | C4 | N9 | H9 | 180.0° | 180.0° |
N6 | C6 | N1 | C2 | 179.7° | 179.9° |
C6 | N6 | H6 | C11 | 133.1° | 179.9° |
C6 | N6 | C11 | H111 | 162.9° | 60.1° |
C6 | N6 | C11 | H112 | 42.9° | 60.0° |
C6 | N6 | C11 | H113 | 77.2° | 180.0° |
C6 | N1 | C2 | N3 | 0.4° | 0.1° |
N1 | C6 | N6 | H6 | 56.1° | 180.0° |
N1 | C6 | N6 | C11 | 176.1° | 0.1° |
C6 | N1 | C2 | H2 | 179.6° | 179.7° |
N1 | C2 | N3 | H2 | 180.0° | 179.6° |
N1 | C2 | N3 | C4 | 0.3° | 0.3° |
N3 | C4 | N9 | H9 | 0.4° | 0.1° |
C4 | N3 | C2 | H2 | 179.7° | 179.9° |
H9 | N9 | C8 | H8 | 0.2° | 0.0° |
H6 | N6 | C11 | H111 | 77.1° | 120.0° |
H6 | N6 | C11 | H112 | 162.9° | 120.0° |
H6 | N6 | C11 | H113 | 42.8° | 0.1° |
N6 | C11 | H111 | H112 | 120.0° | 120.1° |
N6 | C11 | H111 | H113 | 120.0° | 120.0° |
N6 | C11 | H112 | H113 | 120.0° | 120.0° |
H111 | C11 | H112 | H113 | 120.0° | 119.9° |