K4V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | N10 | sing | 1.22Å | 1.22Å | |
O13 | N10 | doub | 1.22Å | 1.40Å | |
N10 | C1 | sing | 1.48Å | 1.40Å | |
C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.51Å | 1.50Å | |
C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | O14 | sing | 1.36Å | 1.38Å | |
C15 | O14 | sing | 1.34Å | 1.46Å | |
C15 | O17 | doub | 1.21Å | 1.22Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C16 | H6 | sing | 1.09Å | 1.10Å | |
C16 | H7 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | N10 | O13 | 119.5° | 120.0° |
O11 | N10 | C1 | 120.6° | 120.0° |
O13 | N10 | C1 | 119.9° | 120.0° |
N10 | C1 | C6 | 121.3° | 120.0° |
N10 | C1 | C2 | 118.9° | 119.9° |
C1 | C6 | C5 | 120.2° | 120.1° |
C6 | C1 | C2 | 119.8° | 120.1° |
C1 | C6 | H4 | 119.9° | 119.9° |
C6 | C5 | C4 | 119.8° | 119.9° |
C6 | C5 | H3 | 120.1° | 120.1° |
C5 | C6 | H4 | 119.9° | 119.9° |
C1 | C2 | C3 | 119.9° | 120.1° |
C1 | C2 | H1 | 120.0° | 120.0° |
C5 | C4 | C3 | 119.5° | 119.9° |
C5 | C4 | O14 | 120.9° | 120.0° |
C4 | C5 | H3 | 120.1° | 120.1° |
C16 | C15 | O14 | 125.0° | 120.0° |
C16 | C15 | O17 | 119.7° | 120.0° |
C15 | C16 | H5 | 109.5° | 109.5° |
C15 | C16 | H6 | 109.5° | 109.5° |
C15 | C16 | H7 | 109.5° | 109.5° |
C2 | C3 | C4 | 120.7° | 119.9° |
C3 | C2 | H1 | 120.0° | 120.0° |
C2 | C3 | H2 | 119.6° | 120.0° |
C3 | C4 | O14 | 119.6° | 120.1° |
C4 | C3 | H2 | 119.7° | 120.0° |
C4 | O14 | C15 | 133.4° | 117.0° |
O14 | C15 | O17 | 115.4° | 120.0° |
H5 | C16 | H6 | 109.4° | 109.5° |
H5 | C16 | H7 | 109.4° | 109.5° |
H6 | C16 | H7 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | N10 | O13 | C1 | 179.3° | 179.9° |
O11 | N10 | C1 | C6 | 58.0° | 179.7° |
O11 | N10 | C1 | C2 | 122.1° | 0.0° |
O13 | N10 | C1 | C6 | 122.7° | 0.2° |
O13 | N10 | C1 | C2 | 57.2° | 180.0° |
N10 | C1 | C6 | C2 | 179.9° | 179.7° |
N10 | C1 | C6 | C5 | 179.8° | 179.8° |
N10 | C1 | C2 | C3 | 180.0° | 179.8° |
N10 | C1 | C2 | H1 | 0.0° | 0.3° |
N10 | C1 | C6 | H4 | 0.2° | 0.3° |
C1 | C6 | C5 | H4 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.7° | 0.0° |
C6 | C1 | C2 | C3 | 0.1° | 0.1° |
C6 | C1 | C2 | H1 | 179.9° | 180.0° |
C1 | C6 | C5 | H3 | 179.3° | 180.0° |
C5 | C6 | C1 | C2 | 0.1° | 0.0° |
C6 | C5 | C4 | H3 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 1.1° | 0.0° |
C6 | C5 | C4 | O14 | 179.6° | 180.0° |
C1 | C2 | C3 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 0.3° | 0.1° |
C1 | C2 | C3 | H2 | 179.7° | 179.9° |
C2 | C1 | C6 | H4 | 179.9° | 180.0° |
C5 | C4 | C3 | C2 | 0.9° | 0.0° |
C5 | C4 | C3 | O14 | 178.5° | 180.0° |
C5 | C4 | O14 | C15 | 10.2° | 111.1° |
C5 | C4 | C3 | H2 | 179.1° | 180.0° |
C4 | C5 | C6 | H4 | 179.3° | 180.0° |
C16 | C15 | O14 | C4 | 15.9° | 174.2° |
C16 | C15 | O14 | O17 | 178.7° | 180.0° |
C15 | C16 | H5 | H6 | 120.0° | 120.0° |
C15 | C16 | H5 | H7 | 120.0° | 120.1° |
C15 | C16 | H6 | H7 | 120.0° | 120.0° |
C2 | C3 | C4 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | O14 | 179.4° | 180.0° |
C3 | C4 | O14 | C15 | 171.3° | 69.0° |
C4 | C3 | C2 | H1 | 179.7° | 180.0° |
C3 | C4 | C5 | H3 | 178.9° | 180.0° |
C4 | O14 | C15 | O17 | 165.5° | 5.8° |
O14 | C4 | C3 | H2 | 0.6° | 0.0° |
O14 | C4 | C5 | H3 | 0.4° | 0.0° |
O14 | C15 | C16 | H5 | 178.6° | 60.0° |
O14 | C15 | C16 | H6 | 58.6° | 180.0° |
O14 | C15 | C16 | H7 | 61.4° | 60.0° |
O17 | C15 | C16 | H5 | 0.0° | 120.0° |
O17 | C15 | C16 | H6 | 120.0° | 0.0° |
O17 | C15 | C16 | H7 | 120.0° | 119.9° |
H1 | C2 | C3 | H2 | 0.3° | 0.0° |
H3 | C5 | C6 | H4 | 0.8° | 0.0° |
H5 | C16 | H6 | H7 | 119.9° | 120.0° |