NX9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
N1 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N2 | C9 | doub | 1.31Å | 1.34Å | Aromatic |
C8 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
C9 | C7 | sing | 1.40Å | 1.36Å | Aromatic |
C7 | N | sing | 1.41Å | 1.41Å | |
O | C6 | doub | 1.21Å | 1.23Å | |
N | C6 | sing | 1.35Å | 1.36Å | |
CL | C | sing | 1.74Å | 1.74Å | |
C6 | C5 | sing | 1.51Å | 1.51Å | |
C10 | C | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C4 | sing | 1.51Å | 1.51Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.08Å | 1.08Å | |
C2 | H7 | sing | 1.08Å | 1.08Å | |
C1 | H8 | sing | 1.08Å | 1.08Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | N1 | C8 | 105.1° | 107.9° |
N1 | N2 | C9 | 111.6° | 108.3° |
N2 | N1 | H1 | 127.4° | 126.0° |
N1 | C8 | C7 | 110.9° | 107.5° |
C8 | N1 | H1 | 127.5° | 126.0° |
N1 | C8 | H4 | 124.5° | 126.3° |
N2 | C9 | C7 | 107.6° | 108.3° |
N2 | C9 | H10 | 126.2° | 125.8° |
C8 | C7 | C9 | 104.7° | 107.9° |
C8 | C7 | N | 126.2° | 126.1° |
C7 | C8 | H4 | 124.5° | 126.2° |
C9 | C7 | N | 128.8° | 126.1° |
C7 | C9 | H10 | 126.2° | 125.9° |
C7 | N | C6 | 124.0° | 120.0° |
C7 | N | H9 | 118.0° | 120.0° |
O | C6 | N | 122.3° | 120.0° |
O | C6 | C5 | 122.1° | 120.0° |
N | C6 | C5 | 115.3° | 120.0° |
C6 | N | H9 | 118.0° | 120.0° |
CL | C | C10 | 118.7° | 120.0° |
CL | C | C1 | 119.4° | 120.0° |
C6 | C5 | C4 | 109.3° | 109.4° |
C6 | C5 | H2 | 109.5° | 109.5° |
C6 | C5 | H3 | 109.5° | 109.5° |
C | C10 | C4 | 119.7° | 120.0° |
C10 | C | C1 | 121.8° | 120.0° |
C | C10 | H5 | 120.1° | 120.0° |
C10 | C4 | C5 | 119.8° | 120.0° |
C10 | C4 | C3 | 118.9° | 120.0° |
C4 | C10 | H5 | 120.1° | 120.0° |
C | C1 | C2 | 118.6° | 120.0° |
C | C1 | H8 | 120.7° | 120.0° |
C5 | C4 | C3 | 121.0° | 120.0° |
C4 | C5 | H2 | 109.5° | 109.4° |
C4 | C5 | H3 | 109.5° | 109.5° |
C4 | C3 | C2 | 120.8° | 120.0° |
C4 | C3 | H6 | 119.6° | 120.0° |
C1 | C2 | C3 | 120.2° | 120.0° |
C1 | C2 | H7 | 119.9° | 120.0° |
C2 | C1 | H8 | 120.7° | 120.0° |
C2 | C3 | H6 | 119.6° | 120.0° |
C3 | C2 | H7 | 119.9° | 120.0° |
H2 | C5 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | N1 | C8 | H1 | 180.0° | 179.7° |
N2 | N1 | C8 | C7 | 0.5° | 0.0° |
N1 | N2 | C9 | C7 | 2.0° | 0.0° |
N2 | N1 | C8 | H4 | 179.5° | 180.0° |
N1 | N2 | C9 | H10 | 178.0° | 180.0° |
C8 | N1 | N2 | C9 | 0.9° | 0.0° |
N1 | C8 | C7 | H4 | 180.0° | 180.0° |
N1 | C8 | C7 | C9 | 1.7° | 0.0° |
N1 | C8 | C7 | N | 175.8° | 180.0° |
N2 | C9 | C7 | C8 | 2.1° | 0.0° |
N2 | C9 | C7 | H10 | 180.0° | 180.0° |
N2 | C9 | C7 | N | 176.1° | 180.0° |
C9 | N2 | N1 | H1 | 179.1° | 179.7° |
C8 | C7 | C9 | N | 174.0° | 180.0° |
C8 | C7 | N | C6 | 18.1° | 180.0° |
C7 | C8 | N1 | H1 | 179.5° | 179.7° |
C8 | C7 | N | H9 | 161.9° | 0.0° |
C8 | C7 | C9 | H10 | 177.9° | 180.0° |
C9 | C7 | N | C6 | 169.2° | 0.0° |
C9 | C7 | C8 | H4 | 178.4° | 180.0° |
C9 | C7 | N | H9 | 10.9° | 180.0° |
C7 | N | C6 | O | 28.9° | 0.0° |
C7 | N | C6 | H9 | 180.0° | 180.0° |
C7 | N | C6 | C5 | 158.1° | 180.0° |
N | C7 | C8 | H4 | 4.2° | 0.1° |
N | C7 | C9 | H10 | 3.9° | 0.0° |
O | C6 | N | C5 | 173.0° | 180.0° |
O | C6 | C5 | C4 | 10.1° | 0.0° |
O | C6 | C5 | H2 | 109.8° | 119.9° |
O | C6 | C5 | H3 | 130.1° | 120.0° |
O | C6 | N | H9 | 151.1° | 180.0° |
N | C6 | C5 | C4 | 176.8° | 180.0° |
N | C6 | C5 | H2 | 63.2° | 60.0° |
N | C6 | C5 | H3 | 56.9° | 60.0° |
CL | C | C10 | C1 | 176.5° | 179.6° |
CL | C | C10 | C4 | 176.1° | 180.0° |
CL | C | C1 | C2 | 174.5° | 179.7° |
CL | C | C10 | H5 | 4.0° | 0.1° |
CL | C | C1 | H8 | 5.5° | 0.2° |
C6 | C5 | C4 | C10 | 81.4° | 89.7° |
C6 | C5 | C4 | H2 | 120.0° | 120.0° |
C6 | C5 | C4 | H3 | 120.0° | 120.0° |
C6 | C5 | C4 | C3 | 92.6° | 90.0° |
C6 | C5 | H2 | H3 | 120.1° | 120.1° |
C5 | C6 | N | H9 | 21.9° | 0.0° |
C | C10 | C4 | H5 | 180.0° | 179.9° |
C | C10 | C4 | C5 | 172.4° | 179.8° |
C | C10 | C4 | C3 | 1.7° | 0.0° |
C10 | C | C1 | C2 | 2.0° | 0.7° |
C10 | C | C1 | H8 | 178.0° | 179.8° |
C4 | C10 | C | C1 | 0.4° | 0.4° |
C10 | C4 | C5 | C3 | 174.0° | 179.7° |
C10 | C4 | C3 | C2 | 2.4° | 0.2° |
C10 | C4 | C5 | H2 | 158.6° | 30.3° |
C10 | C4 | C5 | H3 | 38.6° | 150.3° |
C10 | C4 | C3 | H6 | 177.6° | 179.7° |
C | C1 | C2 | H8 | 180.0° | 179.5° |
C | C1 | C2 | C3 | 1.3° | 0.5° |
C1 | C | C10 | H5 | 179.5° | 179.5° |
C | C1 | C2 | H7 | 178.7° | 179.5° |
C5 | C4 | C3 | C2 | 171.6° | 179.9° |
C4 | C5 | H2 | H3 | 120.1° | 120.0° |
C5 | C4 | C10 | H5 | 7.6° | 0.3° |
C5 | C4 | C3 | H6 | 8.4° | 0.0° |
C4 | C3 | C2 | C1 | 0.9° | 0.1° |
C4 | C3 | C2 | H6 | 180.0° | 179.9° |
C3 | C4 | C5 | H2 | 27.4° | 150.0° |
C3 | C4 | C5 | H3 | 147.4° | 30.0° |
C3 | C4 | C10 | H5 | 178.3° | 179.9° |
C4 | C3 | C2 | H7 | 179.2° | 180.0° |
C1 | C2 | C3 | H7 | 180.0° | 179.9° |
C1 | C2 | C3 | H6 | 179.1° | 180.0° |
C3 | C2 | C1 | H8 | 178.7° | 180.0° |
H1 | N1 | C8 | H4 | 0.5° | 0.3° |
H6 | C3 | C2 | H7 | 0.8° | 0.1° |
H7 | C2 | C1 | H8 | 1.3° | 0.1° |