N6Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C | C4 | sing | 1.38Å | 1.38Å | Aromatic |
N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
N | C2 | doub | 1.32Å | 1.34Å | Aromatic |
N1 | C7 | sing | 1.40Å | 1.38Å | |
C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C3 | C5 | sing | 1.48Å | 1.48Å | |
C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C | H | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | C4 | 118.4° | 119.3° |
C | C1 | N | 123.4° | 121.0° |
C1 | C | H | 120.8° | 120.3° |
C | C1 | H1 | 118.3° | 119.5° |
C | C4 | C3 | 120.1° | 118.3° |
C4 | C | H | 120.8° | 120.4° |
C | C4 | H4 | 120.0° | 120.9° |
C1 | N | C2 | 117.2° | 121.9° |
N | C1 | H1 | 118.3° | 119.5° |
N | C2 | C3 | 124.4° | 120.6° |
N | C2 | H2 | 117.8° | 119.7° |
N1 | C7 | C6 | 120.2° | 120.0° |
N1 | C7 | C8 | 120.8° | 120.0° |
C7 | N1 | HN1 | 109.5° | 120.0° |
C7 | N1 | HN1A | 109.5° | 120.0° |
C2 | C3 | C4 | 116.6° | 118.9° |
C2 | C3 | C5 | 122.0° | 120.5° |
C3 | C2 | H2 | 117.8° | 119.7° |
C4 | C3 | C5 | 121.4° | 120.6° |
C3 | C4 | H4 | 120.0° | 120.8° |
C3 | C5 | C6 | 119.9° | 120.1° |
C3 | C5 | C10 | 121.3° | 120.0° |
C6 | C5 | C10 | 118.7° | 119.9° |
C5 | C6 | C7 | 120.9° | 119.8° |
C5 | C6 | H6 | 119.6° | 120.1° |
C5 | C10 | C9 | 120.9° | 120.0° |
C5 | C10 | H10 | 119.5° | 120.0° |
C6 | C7 | C8 | 119.0° | 119.9° |
C7 | C6 | H6 | 119.5° | 120.1° |
C7 | C8 | C9 | 120.5° | 120.2° |
C7 | C8 | H8 | 119.7° | 119.9° |
C8 | C9 | C10 | 120.0° | 120.2° |
C9 | C8 | H8 | 119.8° | 119.9° |
C8 | C9 | H9 | 120.0° | 119.9° |
C10 | C9 | H9 | 120.0° | 119.9° |
C9 | C10 | H10 | 119.6° | 120.1° |
HN1 | N1 | HN1A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | C4 | H | 180.0° | 179.6° |
C | C1 | N | H1 | 180.0° | 180.0° |
C | C1 | N | C2 | 0.4° | 0.0° |
C1 | C | C4 | C3 | 0.1° | 0.1° |
C1 | C | C4 | H4 | 179.9° | 180.0° |
C4 | C | C1 | N | 0.5° | 0.1° |
C | C4 | C3 | C2 | 0.4° | 0.0° |
C | C4 | C3 | H4 | 180.0° | 179.9° |
C | C4 | C3 | C5 | 178.0° | 180.0° |
C4 | C | C1 | H1 | 179.5° | 180.0° |
C1 | N | C2 | C3 | 0.2° | 0.0° |
N | C1 | C | H | 179.5° | 179.7° |
C1 | N | C2 | H2 | 179.8° | 179.9° |
N | C2 | C3 | H2 | 180.0° | 180.0° |
N | C2 | C3 | C4 | 0.6° | 0.0° |
N | C2 | C3 | C5 | 177.8° | 180.0° |
C2 | N | C1 | H1 | 179.6° | 180.0° |
N1 | C7 | C6 | C5 | 178.9° | 180.0° |
N1 | C7 | C6 | C8 | 179.2° | 180.0° |
N1 | C7 | C8 | C9 | 178.4° | 180.0° |
C7 | N1 | HN1 | HN1A | 120.0° | 179.9° |
N1 | C7 | C6 | H6 | 1.1° | 0.0° |
N1 | C7 | C8 | H8 | 1.6° | 0.0° |
C2 | C3 | C4 | C5 | 178.4° | 180.0° |
C2 | C3 | C5 | C6 | 1.3° | 0.0° |
C2 | C3 | C5 | C10 | 177.6° | 179.7° |
C2 | C3 | C4 | H4 | 179.6° | 180.0° |
C4 | C3 | C5 | C6 | 179.6° | 180.0° |
C4 | C3 | C5 | C10 | 0.7° | 0.3° |
C3 | C4 | C | H | 179.9° | 179.7° |
C4 | C3 | C2 | H2 | 179.4° | 180.0° |
C3 | C5 | C6 | C10 | 178.9° | 179.8° |
C3 | C5 | C6 | C7 | 179.1° | 180.0° |
C3 | C5 | C10 | C9 | 179.1° | 179.7° |
C5 | C3 | C2 | H2 | 2.2° | 0.0° |
C5 | C3 | C4 | H4 | 2.0° | 0.0° |
C3 | C5 | C6 | H6 | 0.9° | 0.0° |
C3 | C5 | C10 | H10 | 0.9° | 0.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.3° | 0.0° |
C6 | C5 | C10 | C9 | 0.2° | 0.6° |
C6 | C5 | C10 | H10 | 179.8° | 179.8° |
C10 | C5 | C6 | C7 | 0.2° | 0.2° |
C5 | C10 | C9 | C8 | 0.3° | 0.6° |
C5 | C10 | C9 | H10 | 180.0° | 179.7° |
C10 | C5 | C6 | H6 | 179.8° | 179.8° |
C5 | C10 | C9 | H9 | 179.7° | 179.7° |
C6 | C7 | C8 | C9 | 0.8° | 0.0° |
C6 | C7 | N1 | HN1 | 180.0° | 0.0° |
C6 | C7 | N1 | HN1A | 60.0° | 179.9° |
C6 | C7 | C8 | H8 | 179.2° | 179.9° |
C7 | C8 | C9 | H8 | 180.0° | 179.9° |
C7 | C8 | C9 | C10 | 0.8° | 0.3° |
C8 | C7 | N1 | HN1 | 0.8° | 180.0° |
C8 | C7 | N1 | HN1A | 120.8° | 0.0° |
C8 | C7 | C6 | H6 | 179.7° | 180.0° |
C7 | C8 | C9 | H9 | 179.2° | 180.0° |
C8 | C9 | C10 | H9 | 180.0° | 179.7° |
C8 | C9 | C10 | H10 | 179.7° | 179.7° |
C10 | C9 | C8 | H8 | 179.2° | 179.7° |
H | C | C1 | H1 | 0.5° | 0.3° |
H | C | C4 | H4 | 0.1° | 0.4° |
H8 | C8 | C9 | H9 | 0.8° | 0.0° |
H9 | C9 | C10 | H10 | 0.3° | 0.0° |