VC3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C5 | sing | 1.47Å | 1.47Å | |
N1 | O7 | sing | 1.22Å | 1.22Å | |
N1 | O8 | doub | 1.21Å | 1.21Å | |
N2 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
N2 | N4 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C3 | C9 | sing | 1.48Å | 1.48Å | Aromatic |
N4 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
C5 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C5 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
C9 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
C9 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
N4 | H4 | sing | 1.00Å | 1.00Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
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 |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | N1 | O7 | 120.4° | 120.4° |
C5 | N1 | O8 | 119.9° | 119.9° |
N1 | C5 | C11 | 118.9° | 118.9° |
N1 | C5 | C12 | 120.0° | 120.0° |
O7 | N1 | O8 | 119.7° | 119.7° |
C3 | N2 | N4 | 107.8° | 107.8° |
N2 | C3 | C6 | 108.2° | 108.2° |
N2 | C3 | C9 | 125.6° | 125.6° |
N2 | N4 | C10 | 108.5° | 108.5° |
N2 | N4 | H4 | 125.7° | 125.7° |
C6 | C3 | C9 | 126.2° | 126.2° |
C3 | C6 | C10 | 107.7° | 107.7° |
C3 | C6 | H6 | 126.1° | 126.1° |
C3 | C9 | C13 | 118.8° | 118.8° |
C3 | C9 | C14 | 120.8° | 120.8° |
N4 | C10 | C6 | 107.8° | 107.8° |
C10 | N4 | H4 | 125.7° | 125.7° |
N4 | C10 | H10 | 126.1° | 126.1° |
C11 | C5 | C12 | 121.2° | 121.2° |
C5 | C11 | C13 | 119.8° | 119.8° |
C5 | C11 | H11 | 120.1° | 120.1° |
C5 | C12 | C14 | 119.3° | 119.3° |
C5 | C12 | H12 | 120.4° | 120.3° |
C10 | C6 | H6 | 126.1° | 126.1° |
C6 | C10 | H10 | 126.1° | 126.1° |
C13 | C9 | C14 | 120.4° | 120.4° |
C9 | C13 | C11 | 119.5° | 119.5° |
C9 | C13 | H13 | 120.3° | 120.3° |
C9 | C14 | C12 | 119.9° | 119.9° |
C9 | C14 | H14 | 120.0° | 120.0° |
C13 | C11 | H11 | 120.1° | 120.1° |
C11 | C13 | H13 | 120.3° | 120.3° |
C14 | C12 | H12 | 120.4° | 120.4° |
C12 | C14 | H14 | 120.1° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | N1 | O7 | O8 | 179.1° | 179.1° |
N1 | C5 | C11 | C12 | 179.2° | 179.2° |
N1 | C5 | C11 | C13 | 179.4° | 179.4° |
N1 | C5 | C12 | C14 | 179.6° | 179.6° |
N1 | C5 | C11 | H11 | 0.6° | 0.6° |
N1 | C5 | C12 | H12 | 0.4° | 0.4° |
O7 | N1 | C5 | C11 | 10.6° | 10.6° |
O7 | N1 | C5 | C12 | 170.1° | 170.1° |
O8 | N1 | C5 | C11 | 168.4° | 168.4° |
O8 | N1 | C5 | C12 | 10.8° | 10.8° |
N2 | C3 | C6 | C9 | 178.2° | 178.2° |
C3 | N2 | N4 | C10 | 0.9° | 0.9° |
N2 | C3 | C6 | C10 | 0.3° | 0.3° |
N2 | C3 | C9 | C13 | 156.9° | 156.9° |
N2 | C3 | C9 | C14 | 21.3° | 21.3° |
C3 | N2 | N4 | H4 | 179.1° | 179.1° |
N2 | C3 | C6 | H6 | 179.6° | 179.6° |
N4 | N2 | C3 | C6 | 0.7° | 0.7° |
N4 | N2 | C3 | C9 | 178.9° | 178.9° |
N2 | N4 | C10 | H4 | 180.0° | 180.0° |
N2 | N4 | C10 | C6 | 0.7° | 0.7° |
N2 | N4 | C10 | H10 | 179.3° | 179.3° |
C3 | C6 | C10 | N4 | 0.2° | 0.2° |
C3 | C6 | C10 | H6 | 180.0° | 180.0° |
C6 | C3 | C9 | C13 | 21.0° | 21.0° |
C6 | C3 | C9 | C14 | 160.9° | 160.9° |
C3 | C6 | C10 | H10 | 179.8° | 179.8° |
C9 | C3 | C6 | C10 | 178.5° | 178.5° |
C3 | C9 | C13 | C14 | 178.2° | 178.2° |
C3 | C9 | C13 | C11 | 178.9° | 178.9° |
C3 | C9 | C14 | C12 | 179.1° | 179.1° |
C9 | C3 | C6 | H6 | 1.5° | 1.5° |
C3 | C9 | C13 | H13 | 1.1° | 1.1° |
C3 | C9 | C14 | H14 | 0.9° | 0.9° |
N4 | C10 | C6 | H10 | 180.0° | 180.0° |
N4 | C10 | C6 | H6 | 179.8° | 179.8° |
C5 | C11 | C13 | C9 | 0.3° | 0.3° |
C5 | C11 | C13 | H11 | 180.0° | 180.0° |
C11 | C5 | C12 | C14 | 0.4° | 0.4° |
C11 | C5 | C12 | H12 | 179.6° | 179.6° |
C5 | C11 | C13 | H13 | 179.7° | 179.7° |
C5 | C12 | C14 | C9 | 0.8° | 0.8° |
C12 | C5 | C11 | C13 | 0.2° | 0.2° |
C5 | C12 | C14 | H12 | 180.0° | 180.0° |
C12 | C5 | C11 | H11 | 179.8° | 179.8° |
C5 | C12 | C14 | H14 | 179.2° | 179.2° |
C6 | C10 | N4 | H4 | 179.3° | 179.3° |
C9 | C13 | C11 | H13 | 180.0° | 180.0° |
C13 | C9 | C14 | C12 | 1.0° | 1.0° |
C9 | C13 | C11 | H11 | 179.6° | 179.6° |
C13 | C9 | C14 | H14 | 179.0° | 179.0° |
C14 | C9 | C13 | C11 | 0.7° | 0.7° |
C9 | C14 | C12 | H14 | 180.0° | 180.0° |
C9 | C14 | C12 | H12 | 179.2° | 179.2° |
C14 | C9 | C13 | H13 | 179.3° | 179.3° |
H4 | N4 | C10 | H10 | 0.7° | 0.7° |
H6 | C6 | C10 | H10 | 0.2° | 0.2° |
H11 | C11 | C13 | H13 | 0.4° | 0.3° |
H12 | C12 | C14 | H14 | 0.8° | 0.8° |