928
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N15 | C14 | trip | 1.14Å | 1.16Å | |
C14 | C4 | sing | 1.43Å | 1.33Å | |
C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
C3 | N2 | doub | 1.30Å | 1.37Å | Aromatic |
N2 | N1 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | N13 | sing | 1.38Å | 1.35Å | |
C5 | N1 | sing | 1.35Å | 1.32Å | Aromatic |
N1 | C6 | sing | 1.40Å | 1.34Å | Aromatic |
C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | CL12 | sing | 1.74Å | 1.80Å | |
C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N13 | HN13 | sing | 0.97Å | 1.00Å | |
N13 | HN1A | sing | 0.97Å | 1.00Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N15 | C14 | C4 | 179.9° | 180.0° |
C14 | C4 | C3 | 124.7° | 126.5° |
C14 | C4 | C5 | 124.7° | 126.5° |
C3 | C4 | C5 | 110.6° | 107.0° |
C4 | C3 | N2 | 105.9° | 108.3° |
C4 | C3 | H3 | 127.1° | 125.9° |
C4 | C5 | N13 | 127.0° | 126.4° |
C4 | C5 | N1 | 106.1° | 107.1° |
C3 | N2 | N1 | 106.4° | 109.2° |
N2 | C3 | H3 | 127.1° | 125.9° |
N2 | N1 | C5 | 111.1° | 108.4° |
N2 | N1 | C6 | 124.5° | 125.8° |
N13 | C5 | N1 | 127.0° | 126.5° |
C5 | N13 | HN13 | 109.5° | 120.0° |
C5 | N13 | HN1A | 109.5° | 119.9° |
C5 | N1 | C6 | 124.5° | 125.8° |
N1 | C6 | C11 | 122.4° | 120.0° |
N1 | C6 | C7 | 122.5° | 120.1° |
C11 | C6 | C7 | 115.1° | 119.9° |
C6 | C11 | C10 | 123.1° | 119.9° |
C6 | C11 | H11 | 118.5° | 120.1° |
C6 | C7 | C8 | 123.1° | 119.9° |
C6 | C7 | H7 | 118.5° | 120.1° |
C11 | C10 | C9 | 119.9° | 120.1° |
C10 | C11 | H11 | 118.5° | 120.0° |
C11 | C10 | H10 | 120.0° | 119.9° |
C10 | C9 | CL12 | 120.6° | 119.9° |
C10 | C9 | C8 | 118.9° | 120.1° |
C9 | C10 | H10 | 120.0° | 120.0° |
CL12 | C9 | C8 | 120.6° | 120.0° |
C9 | C8 | C7 | 119.9° | 120.1° |
C9 | C8 | H8 | 120.0° | 120.0° |
C7 | C8 | H8 | 120.0° | 119.9° |
C8 | C7 | H7 | 118.4° | 120.0° |
HN13 | N13 | HN1A | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N15 | C14 | C4 | C3 | 145.6° | 33.3° |
N15 | C14 | C4 | C5 | 34.4° | 147.1° |
C14 | C4 | C3 | C5 | 180.0° | 179.7° |
C14 | C4 | C3 | N2 | 180.0° | 179.9° |
C14 | C4 | C5 | N13 | 0.0° | 0.1° |
C14 | C4 | C5 | N1 | 180.0° | 179.9° |
C14 | C4 | C3 | H3 | 0.0° | 0.1° |
C4 | C3 | N2 | H3 | 180.0° | 180.0° |
C4 | C3 | N2 | N1 | 0.0° | 0.0° |
C3 | C4 | C5 | N13 | 180.0° | 179.8° |
C3 | C4 | C5 | N1 | 0.0° | 0.4° |
C5 | C4 | C3 | N2 | 0.0° | 0.2° |
C4 | C5 | N1 | N2 | 0.0° | 0.4° |
C4 | C5 | N13 | N1 | 180.0° | 179.8° |
C4 | C5 | N1 | C6 | 180.0° | 179.9° |
C5 | C4 | C3 | H3 | 180.0° | 179.7° |
C4 | C5 | N13 | HN13 | 0.7° | 0.0° |
C4 | C5 | N13 | HN1A | 119.3° | 179.9° |
C3 | N2 | N1 | C5 | 0.0° | 0.3° |
C3 | N2 | N1 | C6 | 180.0° | 180.0° |
N2 | N1 | C5 | N13 | 180.0° | 179.7° |
N2 | N1 | C5 | C6 | 180.0° | 179.7° |
N2 | N1 | C6 | C11 | 131.3° | 35.0° |
N2 | N1 | C6 | C7 | 48.6° | 144.8° |
N1 | N2 | C3 | H3 | 180.0° | 180.0° |
N13 | C5 | N1 | C6 | 0.0° | 0.0° |
C5 | N13 | HN13 | HN1A | 120.0° | 179.9° |
C5 | N1 | C6 | C11 | 48.7° | 145.3° |
C5 | N1 | C6 | C7 | 131.3° | 34.9° |
N1 | C5 | N13 | HN13 | 179.3° | 179.8° |
N1 | C5 | N13 | HN1A | 60.7° | 0.1° |
N1 | C6 | C11 | C7 | 179.9° | 179.8° |
N1 | C6 | C11 | C10 | 180.0° | 180.0° |
N1 | C6 | C7 | C8 | 180.0° | 179.7° |
N1 | C6 | C11 | H11 | 0.0° | 0.1° |
N1 | C6 | C7 | H7 | 0.1° | 0.1° |
C6 | C11 | C10 | H11 | 180.0° | 179.9° |
C6 | C11 | C10 | C9 | 0.0° | 0.1° |
C11 | C6 | C7 | C8 | 0.0° | 0.5° |
C6 | C11 | C10 | H10 | 179.9° | 180.0° |
C11 | C6 | C7 | H7 | 180.0° | 179.7° |
C7 | C6 | C11 | C10 | 0.0° | 0.2° |
C6 | C7 | C8 | C9 | 0.0° | 0.5° |
C6 | C7 | C8 | H7 | 180.0° | 179.8° |
C7 | C6 | C11 | H11 | 180.0° | 179.7° |
C6 | C7 | C8 | H8 | 180.0° | 179.8° |
C11 | C10 | C9 | H10 | 180.0° | 179.9° |
C11 | C10 | C9 | CL12 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 0.0° | 0.0° |
C10 | C9 | CL12 | C8 | 180.0° | 179.9° |
C10 | C9 | C8 | C7 | 0.0° | 0.2° |
C9 | C10 | C11 | H11 | 180.0° | 180.0° |
C10 | C9 | C8 | H8 | 180.0° | 180.0° |
CL12 | C9 | C8 | C7 | 180.0° | 179.7° |
CL12 | C9 | C10 | H10 | 0.1° | 0.1° |
CL12 | C9 | C8 | H8 | 0.0° | 0.0° |
C9 | C8 | C7 | H8 | 180.0° | 179.7° |
C8 | C9 | C10 | H10 | 180.0° | 180.0° |
C9 | C8 | C7 | H7 | 180.0° | 179.7° |
H11 | C11 | C10 | H10 | 0.1° | 0.1° |
H8 | C8 | C7 | H7 | 0.0° | 0.0° |