D25
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
C1 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
C2 | C3 | sing | 1.48Å | 1.48Å | Aromatic |
C2 | N6 | doub | 1.32Å | 1.32Å | Aromatic |
C3 | C4 | doub | 1.37Å | 1.37Å | Aromatic |
C3 | O10 | sing | 1.35Å | 1.35Å | Aromatic |
C4 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
C6 | N10 | sing | 1.35Å | 1.35Å | Aromatic |
O10 | N11 | sing | 1.21Å | 1.21Å | Aromatic |
N11 | C12 | doub | 1.31Å | 1.31Å | Aromatic |
C12 | C13 | sing | 1.49Å | 1.49Å | Aromatic |
C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
C13 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
N6 | N10 | sing | 1.40Å | 1.40Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
N10 | H10 | sing | 1.00Å | 1.00Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 108.2° | 108.2° |
C1 | C2 | C3 | 125.4° | 125.4° |
C1 | C2 | N6 | 107.7° | 107.7° |
C2 | C1 | H1 | 125.9° | 125.9° |
C1 | C6 | N10 | 107.7° | 107.7° |
C6 | C1 | H1 | 125.9° | 125.9° |
C1 | C6 | H6 | 126.2° | 126.2° |
C3 | C2 | N6 | 126.8° | 126.8° |
C2 | C3 | C4 | 128.2° | 128.2° |
C2 | C3 | O10 | 125.3° | 125.3° |
C2 | N6 | N10 | 108.1° | 108.1° |
C4 | C3 | O10 | 106.4° | 106.4° |
C3 | C4 | C12 | 103.5° | 103.5° |
C3 | C4 | H4 | 128.2° | 128.2° |
C3 | O10 | N11 | 111.6° | 111.6° |
C4 | C12 | N11 | 106.3° | 106.3° |
C4 | C12 | C13 | 128.6° | 128.6° |
C12 | C4 | H4 | 128.2° | 128.2° |
C6 | N10 | N6 | 108.3° | 108.3° |
N10 | C6 | H6 | 126.2° | 126.2° |
C6 | N10 | H10 | 125.8° | 125.8° |
O10 | N11 | C12 | 112.0° | 112.0° |
N11 | C12 | C13 | 125.0° | 125.0° |
C12 | C13 | C14 | 119.3° | 119.3° |
C12 | C13 | C18 | 121.1° | 121.1° |
C14 | C13 | C18 | 119.6° | 119.6° |
C13 | C14 | C15 | 120.8° | 120.8° |
C13 | C14 | H14 | 119.6° | 119.6° |
C13 | C18 | C17 | 118.8° | 118.8° |
C13 | C18 | H18 | 120.6° | 120.6° |
C14 | C15 | C16 | 119.3° | 119.3° |
C15 | C14 | H14 | 119.6° | 119.6° |
C14 | C15 | H15 | 120.3° | 120.3° |
C15 | C16 | C17 | 120.1° | 120.1° |
C16 | C15 | H15 | 120.4° | 120.4° |
C15 | C16 | H16 | 119.9° | 119.9° |
C16 | C17 | C18 | 121.3° | 121.3° |
C17 | C16 | H16 | 120.0° | 120.0° |
C16 | C17 | H17 | 119.3° | 119.3° |
C17 | C18 | H18 | 120.6° | 120.6° |
C18 | C17 | H17 | 119.3° | 119.3° |
N6 | N10 | H10 | 125.9° | 125.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | N6 | 179.7° | 179.7° |
C1 | C2 | C3 | C4 | 173.9° | 173.9° |
C1 | C2 | C3 | O10 | 5.6° | 5.6° |
C2 | C1 | C6 | N10 | 0.3° | 0.3° |
C1 | C2 | N6 | N10 | 0.0° | 0.0° |
C2 | C1 | C6 | H6 | 179.8° | 179.8° |
C6 | C1 | C2 | C3 | 180.0° | 180.0° |
C6 | C1 | C2 | N6 | 0.2° | 0.2° |
C1 | C6 | N10 | H6 | 180.0° | 180.0° |
C1 | C6 | N10 | N6 | 0.2° | 0.2° |
C1 | C6 | N10 | H10 | 179.8° | 179.8° |
C2 | C3 | C4 | O10 | 179.6° | 179.6° |
C2 | C3 | C4 | C12 | 179.5° | 179.5° |
C2 | C3 | O10 | N11 | 179.5° | 179.5° |
C3 | C2 | N6 | N10 | 179.8° | 179.8° |
C3 | C2 | C1 | H1 | 0.0° | 0.0° |
C2 | C3 | C4 | H4 | 0.5° | 0.5° |
N6 | C2 | C3 | C4 | 5.8° | 5.8° |
N6 | C2 | C3 | O10 | 174.6° | 174.6° |
C2 | N6 | N10 | C6 | 0.1° | 0.1° |
N6 | C2 | C1 | H1 | 179.8° | 179.8° |
C2 | N6 | N10 | H10 | 179.9° | 179.9° |
C3 | C4 | C12 | H4 | 180.0° | 180.0° |
C4 | C3 | O10 | N11 | 0.2° | 0.2° |
C3 | C4 | C12 | N11 | 0.1° | 0.1° |
C3 | C4 | C12 | C13 | 179.6° | 179.6° |
O10 | C3 | C4 | C12 | 0.1° | 0.1° |
C3 | O10 | N11 | C12 | 0.1° | 0.1° |
O10 | C3 | C4 | H4 | 179.9° | 179.8° |
C4 | C12 | N11 | O10 | 0.0° | 0.0° |
C4 | C12 | N11 | C13 | 179.6° | 179.6° |
C4 | C12 | C13 | C14 | 149.5° | 149.5° |
C4 | C12 | C13 | C18 | 30.6° | 30.6° |
C6 | N10 | N6 | H10 | 180.0° | 180.0° |
N10 | C6 | C1 | H1 | 179.7° | 179.7° |
O10 | N11 | C12 | C13 | 179.6° | 179.6° |
N11 | C12 | C13 | C14 | 29.9° | 29.9° |
N11 | C12 | C13 | C18 | 149.9° | 149.9° |
N11 | C12 | C4 | H4 | 179.9° | 179.9° |
C12 | C13 | C14 | C18 | 179.8° | 179.8° |
C12 | C13 | C14 | C15 | 180.0° | 180.0° |
C12 | C13 | C18 | C17 | 179.9° | 179.9° |
C13 | C12 | C4 | H4 | 0.4° | 0.3° |
C12 | C13 | C14 | H14 | 0.0° | 0.0° |
C12 | C13 | C18 | H18 | 0.1° | 0.1° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.2° | 0.2° |
C14 | C13 | C18 | C17 | 0.0° | 0.0° |
C14 | C13 | C18 | H18 | 179.9° | 179.9° |
C13 | C14 | C15 | H15 | 179.8° | 179.8° |
C18 | C13 | C14 | C15 | 0.1° | 0.1° |
C13 | C18 | C17 | C16 | 0.0° | 0.0° |
C13 | C18 | C17 | H18 | 180.0° | 180.0° |
C18 | C13 | C14 | H14 | 179.9° | 179.9° |
C13 | C18 | C17 | H17 | 180.0° | 180.0° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.1° | 0.1° |
C14 | C15 | C16 | H16 | 179.9° | 179.9° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.0° | 0.0° |
C16 | C15 | C14 | H14 | 179.8° | 179.8° |
C15 | C16 | C17 | H17 | 179.9° | 179.9° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | H18 | 180.0° | 180.0° |
C17 | C16 | C15 | H15 | 179.8° | 179.9° |
C18 | C17 | C16 | H16 | 179.9° | 179.9° |
N6 | N10 | C6 | H6 | 179.8° | 179.8° |
H1 | C1 | C6 | H6 | 0.2° | 0.2° |
H6 | C6 | N10 | H10 | 0.2° | 0.2° |
H14 | C14 | C15 | H15 | 0.2° | 0.1° |
H18 | C18 | C17 | H17 | 0.0° | 0.0° |
H15 | C15 | C16 | H16 | 0.2° | 0.1° |
H16 | C16 | C17 | H17 | 0.1° | 0.1° |