SNQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
C10 | N | sing | 1.37Å | 1.41Å | Aromatic |
C8 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
N2 | C | trip | 1.14Å | 1.16Å | |
N | C7 | sing | 1.37Å | 1.40Å | Aromatic |
N | C6 | sing | 1.40Å | 1.44Å | |
C | C1 | sing | 1.43Å | 1.42Å | |
C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
C3 | N1 | sing | 1.40Å | 1.37Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C9 | C8 | 108.3° | 107.5° |
C9 | C10 | N | 107.1° | 108.1° |
C9 | C10 | H7 | 126.4° | 125.9° |
C10 | C9 | H9 | 125.8° | 126.3° |
C9 | C8 | C7 | 107.8° | 107.5° |
C9 | C8 | H6 | 126.1° | 126.3° |
C8 | C9 | H9 | 125.9° | 126.2° |
C10 | N | C7 | 108.8° | 108.7° |
C10 | N | C6 | 127.3° | 125.6° |
N | C10 | H7 | 126.5° | 125.9° |
C8 | C7 | N | 108.0° | 108.2° |
C8 | C7 | H5 | 126.0° | 126.0° |
C7 | C8 | H6 | 126.1° | 126.3° |
N2 | C | C1 | 178.3° | 180.0° |
C7 | N | C6 | 123.9° | 125.7° |
N | C7 | H5 | 126.0° | 125.8° |
N | C6 | C1 | 122.4° | 120.1° |
N | C6 | C5 | 118.7° | 120.1° |
C | C1 | C6 | 122.0° | 120.1° |
C | C1 | C2 | 117.5° | 120.2° |
C1 | C6 | C5 | 118.8° | 119.8° |
C6 | C1 | C2 | 120.6° | 119.7° |
C6 | C5 | C4 | 120.8° | 120.2° |
C6 | C5 | H4 | 119.7° | 119.9° |
C1 | C2 | C3 | 119.3° | 119.9° |
C1 | C2 | H8 | 120.3° | 120.1° |
C5 | C4 | C3 | 120.6° | 120.4° |
C5 | C4 | H3 | 119.7° | 119.8° |
C4 | C5 | H4 | 119.6° | 119.9° |
C2 | C3 | C4 | 120.0° | 120.1° |
C2 | C3 | N1 | 120.8° | 119.9° |
C3 | C2 | H8 | 120.4° | 120.0° |
C4 | C3 | N1 | 119.1° | 120.0° |
C3 | C4 | H3 | 119.7° | 119.8° |
C3 | N1 | H1 | 109.5° | 120.0° |
C3 | N1 | H2 | 109.4° | 120.0° |
H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C9 | C8 | H9 | 180.0° | 180.0° |
C9 | C10 | N | H7 | 180.0° | 179.9° |
C10 | C9 | C8 | C7 | 0.1° | 0.2° |
C9 | C10 | N | C7 | 0.1° | 0.2° |
C9 | C10 | N | C6 | 179.1° | 180.0° |
C10 | C9 | C8 | H6 | 179.8° | 179.9° |
C8 | C9 | C10 | N | 0.0° | 0.0° |
C9 | C8 | C7 | H6 | 180.0° | 179.9° |
C9 | C8 | C7 | N | 0.2° | 0.3° |
C9 | C8 | C7 | H5 | 179.8° | 179.9° |
C8 | C9 | C10 | H7 | 180.0° | 179.9° |
C10 | N | C7 | C8 | 0.2° | 0.3° |
C10 | N | C7 | C6 | 179.3° | 179.8° |
C10 | N | C6 | C1 | 41.7° | 130.0° |
C10 | N | C6 | C5 | 139.6° | 50.0° |
C10 | N | C7 | H5 | 179.8° | 179.9° |
N | C10 | C9 | H9 | 180.0° | 180.0° |
C8 | C7 | N | H5 | 180.0° | 179.6° |
C8 | C7 | N | C6 | 179.1° | 179.9° |
C7 | C8 | C9 | H9 | 179.8° | 179.8° |
N2 | C | C1 | C6 | 173.4° | 118.1° |
N2 | C | C1 | C2 | 7.2° | 61.8° |
C7 | N | C6 | C1 | 137.5° | 50.3° |
C7 | N | C6 | C5 | 41.2° | 129.8° |
N | C7 | C8 | H6 | 179.8° | 179.7° |
C7 | N | C10 | H7 | 179.9° | 179.9° |
N | C6 | C1 | C | 1.2° | 0.0° |
N | C6 | C1 | C5 | 178.7° | 180.0° |
N | C6 | C1 | C2 | 178.2° | 180.0° |
N | C6 | C5 | C4 | 178.3° | 180.0° |
N | C6 | C5 | H4 | 1.7° | 0.0° |
C6 | N | C7 | H5 | 0.9° | 0.3° |
C6 | N | C10 | H7 | 0.9° | 0.1° |
C | C1 | C6 | C2 | 179.4° | 180.0° |
C | C1 | C6 | C5 | 179.9° | 180.0° |
C | C1 | C2 | C3 | 179.1° | 180.0° |
C | C1 | C2 | H8 | 0.9° | 0.0° |
C1 | C6 | C5 | C4 | 0.4° | 0.0° |
C6 | C1 | C2 | C3 | 0.3° | 0.0° |
C1 | C6 | C5 | H4 | 179.6° | 180.0° |
C6 | C1 | C2 | H8 | 179.7° | 180.0° |
C5 | C6 | C1 | C2 | 0.5° | 0.0° |
C6 | C5 | C4 | H4 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 0.4° | 0.0° |
C6 | C5 | C4 | H3 | 179.6° | 179.8° |
C1 | C2 | C3 | H8 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 1.2° | 0.0° |
C1 | C2 | C3 | N1 | 175.6° | 179.8° |
C5 | C4 | C3 | C2 | 1.3° | 0.0° |
C5 | C4 | C3 | H3 | 180.0° | 179.7° |
C5 | C4 | C3 | N1 | 175.6° | 179.8° |
C2 | C3 | C4 | N1 | 176.8° | 179.8° |
C2 | C3 | N1 | H1 | 180.0° | 179.7° |
C2 | C3 | N1 | H2 | 60.0° | 0.5° |
C2 | C3 | C4 | H3 | 178.7° | 179.8° |
C4 | C3 | N1 | H1 | 3.2° | 0.1° |
C4 | C3 | N1 | H2 | 123.2° | 179.8° |
C3 | C4 | C5 | H4 | 179.6° | 180.0° |
C4 | C3 | C2 | H8 | 178.8° | 180.0° |
C3 | N1 | H1 | H2 | 120.0° | 179.8° |
N1 | C3 | C4 | H3 | 4.4° | 0.0° |
N1 | C3 | C2 | H8 | 4.4° | 0.3° |
H3 | C4 | C5 | H4 | 0.4° | 0.2° |
H5 | C7 | C8 | H6 | 0.2° | 0.1° |
H6 | C8 | C9 | H9 | 0.2° | 0.1° |
H7 | C10 | C9 | H9 | 0.0° | 0.1° |