X11
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
C2 | N7 | sing | 1.38Å | 1.41Å | |
N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
C4 | N8 | sing | 1.38Å | 1.39Å | |
N5 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
C9 | C10 | doub | 1.40Å | 1.44Å | Aromatic |
C9 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
C10 | O15 | sing | 1.36Å | 1.37Å | |
C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
N7 | HN7 | sing | 0.97Å | 1.00Å | |
N7 | HN7A | sing | 0.97Å | 1.00Å | |
N8 | HN8 | sing | 0.97Å | 1.00Å | |
N8 | HN8A | sing | 0.97Å | 1.00Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
O15 | HO15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 119.8° | 120.0° |
N1 | C2 | N3 | 120.1° | 120.0° |
N1 | C2 | N7 | 119.8° | 120.0° |
N1 | C6 | N5 | 119.7° | 120.0° |
N1 | C6 | C9 | 120.4° | 120.1° |
N3 | C2 | N7 | 120.1° | 120.0° |
C2 | N3 | C4 | 119.8° | 120.1° |
C2 | N7 | HN7 | 109.5° | 120.0° |
C2 | N7 | HN7A | 109.5° | 120.0° |
N3 | C4 | N5 | 120.0° | 120.0° |
N3 | C4 | N8 | 120.6° | 120.0° |
N5 | C4 | N8 | 119.5° | 120.0° |
C4 | N5 | C6 | 120.6° | 120.0° |
C4 | N8 | HN8 | 109.5° | 120.0° |
C4 | N8 | HN8A | 109.5° | 120.0° |
N5 | C6 | C9 | 119.9° | 120.0° |
C6 | C9 | C10 | 120.3° | 120.2° |
C6 | C9 | C14 | 119.9° | 120.2° |
C10 | C9 | C14 | 119.9° | 119.6° |
C9 | C10 | C11 | 119.8° | 119.8° |
C9 | C10 | O15 | 120.5° | 120.1° |
C9 | C14 | C13 | 120.3° | 120.0° |
C9 | C14 | H14 | 119.9° | 120.0° |
C11 | C10 | O15 | 119.7° | 120.2° |
C10 | C11 | C12 | 120.2° | 120.0° |
C10 | C11 | H11 | 119.9° | 119.9° |
C10 | O15 | HO15 | 109.5° | 114.0° |
C11 | C12 | C13 | 120.3° | 120.4° |
C12 | C11 | H11 | 119.9° | 120.0° |
C11 | C12 | H12 | 119.8° | 119.8° |
C12 | C13 | C14 | 119.6° | 120.2° |
C13 | C12 | H12 | 119.9° | 119.8° |
C12 | C13 | H13 | 120.2° | 119.9° |
C14 | C13 | H13 | 120.2° | 119.8° |
C13 | C14 | H14 | 119.9° | 120.0° |
HN7 | N7 | HN7A | 109.5° | 120.0° |
HN8 | N8 | HN8A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | N3 | N7 | 179.9° | 179.8° |
N1 | C2 | N3 | C4 | 0.1° | 0.1° |
C2 | N1 | C6 | N5 | 0.0° | 0.0° |
C2 | N1 | C6 | C9 | 179.8° | 179.9° |
N1 | C2 | N7 | HN7 | 0.0° | 0.1° |
N1 | C2 | N7 | HN7A | 120.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.1° |
C6 | N1 | C2 | N7 | 179.9° | 179.9° |
N1 | C6 | N5 | C4 | 0.1° | 0.0° |
N1 | C6 | N5 | C9 | 179.8° | 180.0° |
N1 | C6 | C9 | C10 | 179.6° | 180.0° |
N1 | C6 | C9 | C14 | 0.1° | 0.3° |
C2 | N3 | C4 | N5 | 0.1° | 0.0° |
C2 | N3 | C4 | N8 | 179.9° | 179.9° |
N3 | C2 | N7 | HN7 | 179.9° | 180.0° |
N3 | C2 | N7 | HN7A | 60.1° | 0.1° |
N7 | C2 | N3 | C4 | 180.0° | 179.9° |
C2 | N7 | HN7 | HN7A | 120.0° | 179.9° |
N3 | C4 | N5 | N8 | 179.8° | 180.0° |
N3 | C4 | N5 | C6 | 0.1° | 0.0° |
N3 | C4 | N8 | HN8 | 0.0° | 0.0° |
N3 | C4 | N8 | HN8A | 120.0° | 180.0° |
C4 | N5 | C6 | C9 | 179.9° | 180.0° |
N5 | C4 | N8 | HN8 | 179.8° | 180.0° |
N5 | C4 | N8 | HN8A | 60.2° | 0.0° |
N8 | C4 | N5 | C6 | 179.9° | 180.0° |
C4 | N8 | HN8 | HN8A | 120.0° | 180.0° |
N5 | C6 | C9 | C10 | 0.2° | 0.0° |
N5 | C6 | C9 | C14 | 179.9° | 179.7° |
C6 | C9 | C10 | C14 | 179.7° | 179.7° |
C6 | C9 | C10 | C11 | 179.4° | 180.0° |
C6 | C9 | C10 | O15 | 0.6° | 0.1° |
C6 | C9 | C14 | C13 | 179.6° | 179.7° |
C6 | C9 | C14 | H14 | 0.4° | 0.1° |
C9 | C10 | C11 | O15 | 180.0° | 179.9° |
C9 | C10 | C11 | C12 | 0.2° | 0.1° |
C10 | C9 | C14 | C13 | 0.1° | 0.6° |
C9 | C10 | C11 | H11 | 179.8° | 180.0° |
C10 | C9 | C14 | H14 | 179.9° | 179.7° |
C9 | C10 | O15 | HO15 | 180.0° | 90.1° |
C14 | C9 | C10 | C11 | 0.3° | 0.3° |
C14 | C9 | C10 | O15 | 179.7° | 179.7° |
C9 | C14 | C13 | C12 | 0.2° | 0.6° |
C9 | C14 | C13 | H14 | 180.0° | 179.6° |
C9 | C14 | C13 | H13 | 179.8° | 179.7° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.1° | 0.0° |
C10 | C11 | C12 | H12 | 179.9° | 180.0° |
C11 | C10 | O15 | HO15 | 0.0° | 90.0° |
O15 | C10 | C11 | C12 | 179.8° | 180.0° |
O15 | C10 | C11 | H11 | 0.2° | 0.0° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.3° | 0.3° |
C11 | C12 | C13 | H13 | 179.6° | 180.0° |
C12 | C13 | C14 | H13 | 180.0° | 179.7° |
C13 | C12 | C11 | H11 | 179.9° | 180.0° |
C12 | C13 | C14 | H14 | 179.8° | 179.7° |
C14 | C13 | C12 | H12 | 179.7° | 179.7° |
H11 | C11 | C12 | H12 | 0.2° | 0.0° |
H12 | C12 | C13 | H13 | 0.4° | 0.0° |
H13 | C13 | C14 | H14 | 0.2° | 0.0° |