DH6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | sing | 1.35Å | 1.32Å | |
C1 | O1 | doub | 1.22Å | 1.23Å | |
C1 | C2 | sing | 1.46Å | 1.46Å | |
C2 | C3 | doub | 1.35Å | 1.33Å | |
C3 | C4 | sing | 1.47Å | 1.48Å | |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C4 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | 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) |
N1 | C1 | O1 | 121.8° | 120.0° |
N1 | C1 | C2 | 117.7° | 120.0° |
C1 | N1 | HN1 | 120.0° | 120.0° |
C1 | N1 | HN1A | 120.0° | 120.0° |
O1 | C1 | C2 | 120.5° | 120.0° |
C1 | C2 | C3 | 121.4° | 120.0° |
C1 | C2 | H2 | 119.3° | 120.0° |
C2 | C3 | C4 | 125.0° | 120.0° |
C3 | C2 | H2 | 119.3° | 120.0° |
C2 | C3 | H3 | 117.5° | 120.0° |
C3 | C4 | C5 | 119.3° | 120.2° |
C3 | C4 | C9 | 122.3° | 120.1° |
C4 | C3 | H3 | 117.5° | 120.0° |
C5 | C4 | C9 | 118.4° | 119.7° |
C4 | C5 | C6 | 120.7° | 119.8° |
C4 | C5 | H5 | 119.7° | 120.1° |
C4 | C9 | C8 | 121.4° | 119.8° |
C4 | C9 | H9 | 119.3° | 120.1° |
C5 | C6 | C7 | 120.2° | 120.2° |
C6 | C5 | H5 | 119.6° | 120.1° |
C5 | C6 | H6 | 119.9° | 120.0° |
C6 | C7 | C8 | 120.3° | 120.3° |
C7 | C6 | H6 | 119.9° | 119.9° |
C6 | C7 | H7 | 119.8° | 119.9° |
C7 | C8 | C9 | 118.9° | 120.2° |
C8 | C7 | H7 | 119.9° | 119.8° |
C7 | C8 | H8 | 120.6° | 119.9° |
C9 | C8 | H8 | 120.5° | 119.9° |
C8 | C9 | H9 | 119.3° | 120.1° |
HN1 | N1 | HN1A | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | O1 | C2 | 178.7° | 179.6° |
N1 | C1 | C2 | C3 | 166.6° | 180.0° |
C1 | N1 | HN1 | HN1A | 180.0° | 180.0° |
N1 | C1 | C2 | H2 | 13.4° | 0.0° |
O1 | C1 | C2 | C3 | 12.1° | 0.4° |
O1 | C1 | N1 | HN1 | 0.0° | 0.1° |
O1 | C1 | N1 | HN1A | 180.0° | 179.9° |
O1 | C1 | C2 | H2 | 167.9° | 179.7° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 175.8° | 180.0° |
C2 | C1 | N1 | HN1 | 178.7° | 179.7° |
C2 | C1 | N1 | HN1A | 1.3° | 0.3° |
C1 | C2 | C3 | H3 | 4.2° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 179.9° | 180.0° |
C2 | C3 | C4 | C9 | 0.7° | 0.3° |
C3 | C4 | C5 | C9 | 179.2° | 179.7° |
C3 | C4 | C5 | C6 | 179.1° | 180.0° |
C3 | C4 | C9 | C8 | 177.9° | 179.8° |
C4 | C3 | C2 | H2 | 4.2° | 0.0° |
C3 | C4 | C5 | H5 | 0.9° | 0.1° |
C3 | C4 | C9 | H9 | 2.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.3° | 0.0° |
C5 | C4 | C9 | C8 | 1.3° | 0.5° |
C5 | C4 | C3 | H3 | 0.0° | 0.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
C5 | C4 | C9 | H9 | 178.7° | 179.8° |
C9 | C4 | C5 | C6 | 0.2° | 0.2° |
C4 | C9 | C8 | C7 | 1.9° | 0.5° |
C4 | C9 | C8 | H9 | 180.0° | 179.7° |
C9 | C4 | C3 | H3 | 179.3° | 179.7° |
C9 | C4 | C5 | H5 | 179.8° | 179.8° |
C4 | C9 | C8 | H8 | 178.1° | 179.7° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.3° | 0.0° |
C5 | C6 | C7 | H7 | 179.7° | 179.9° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 1.4° | 0.2° |
C7 | C6 | C5 | H5 | 179.7° | 179.9° |
C6 | C7 | C8 | H8 | 178.6° | 179.9° |
C7 | C8 | C9 | H8 | 180.0° | 179.8° |
C8 | C7 | C6 | H6 | 179.7° | 180.0° |
C7 | C8 | C9 | H9 | 178.1° | 179.8° |
C9 | C8 | C7 | H7 | 178.6° | 179.8° |
H2 | C2 | C3 | H3 | 175.9° | 180.0° |
H5 | C5 | C6 | H6 | 0.3° | 0.0° |
H6 | C6 | C7 | H7 | 0.3° | 0.1° |
H7 | C7 | C8 | H8 | 1.3° | 0.0° |
H8 | C8 | C9 | H9 | 1.9° | 0.1° |