V6Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
C9 | C4 | sing | 1.40Å | 1.34Å | Aromatic |
C9 | CL | sing | 1.74Å | 1.71Å | |
C4 | C3 | sing | 1.48Å | 1.48Å | |
O2 | C3 | doub | 1.21Å | 1.23Å | |
C3 | N | sing | 1.35Å | 1.37Å | |
O1 | C1 | doub | 1.21Å | 1.19Å | |
C2 | N | sing | 1.47Å | 1.47Å | |
C2 | C1 | sing | 1.51Å | 1.56Å | |
C1 | O | sing | 1.34Å | 1.38Å | |
O | C | sing | 1.45Å | 1.41Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
N | H7 | sing | 0.97Å | 1.00Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C7 | C8 | 118.8° | 120.4° |
C7 | C6 | C5 | 120.0° | 120.1° |
C6 | C7 | H1 | 120.6° | 119.8° |
C7 | C6 | H4 | 120.0° | 120.0° |
C7 | C8 | C9 | 120.2° | 120.1° |
C8 | C7 | H1 | 120.6° | 119.8° |
C7 | C8 | H2 | 119.9° | 120.0° |
C6 | C5 | C4 | 120.7° | 119.9° |
C6 | C5 | H3 | 119.7° | 120.0° |
C5 | C6 | H4 | 119.9° | 119.9° |
C8 | C9 | C4 | 121.7° | 119.8° |
C8 | C9 | CL | 117.2° | 120.1° |
C9 | C8 | H2 | 119.9° | 119.9° |
C5 | C4 | C9 | 118.6° | 119.7° |
C5 | C4 | C3 | 117.7° | 120.2° |
C4 | C5 | H3 | 119.6° | 120.1° |
C4 | C9 | CL | 121.0° | 120.1° |
C9 | C4 | C3 | 123.7° | 120.1° |
C4 | C3 | O2 | 123.0° | 120.0° |
C4 | C3 | N | 113.4° | 120.0° |
O2 | C3 | N | 123.5° | 120.0° |
C3 | N | C2 | 123.1° | 120.0° |
C3 | N | H7 | 118.5° | 120.1° |
O1 | C1 | C2 | 123.2° | 120.0° |
O1 | C1 | O | 111.1° | 120.0° |
N | C2 | C1 | 111.8° | 109.5° |
N | C2 | H5 | 108.9° | 109.5° |
N | C2 | H6 | 108.9° | 109.5° |
C2 | N | H7 | 118.4° | 120.0° |
C2 | C1 | O | 125.6° | 120.0° |
C1 | C2 | H5 | 108.9° | 109.5° |
C1 | C2 | H6 | 108.9° | 109.5° |
C1 | O | C | 121.3° | 117.0° |
O | C | H8 | 109.5° | 109.5° |
O | C | H9 | 109.5° | 109.5° |
O | C | H10 | 109.5° | 109.5° |
H5 | C2 | H6 | 109.5° | 109.5° |
H8 | C | H9 | 109.5° | 109.5° |
H8 | C | H10 | 109.4° | 109.5° |
H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C7 | C8 | H1 | 180.0° | 179.8° |
C7 | C6 | C5 | H4 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.3° | 0.0° |
C7 | C6 | C5 | C4 | 0.9° | 0.0° |
C6 | C7 | C8 | H2 | 179.7° | 179.9° |
C7 | C6 | C5 | H3 | 179.1° | 179.9° |
C8 | C7 | C6 | C5 | 1.3° | 0.0° |
C7 | C8 | C9 | H2 | 180.0° | 179.9° |
C7 | C8 | C9 | C4 | 1.2° | 0.0° |
C7 | C8 | C9 | CL | 175.0° | 180.0° |
C8 | C7 | C6 | H4 | 178.7° | 179.9° |
C6 | C5 | C4 | H3 | 180.0° | 179.9° |
C6 | C5 | C4 | C9 | 0.6° | 0.0° |
C6 | C5 | C4 | C3 | 178.6° | 180.0° |
C5 | C6 | C7 | H1 | 178.7° | 179.8° |
C8 | C9 | C4 | C5 | 1.7° | 0.0° |
C8 | C9 | C4 | CL | 176.1° | 180.0° |
C8 | C9 | C4 | C3 | 179.5° | 180.0° |
C9 | C8 | C7 | H1 | 179.7° | 179.8° |
C5 | C4 | C9 | C3 | 177.8° | 180.0° |
C5 | C4 | C9 | CL | 174.4° | 180.0° |
C5 | C4 | C3 | O2 | 106.1° | 180.0° |
C5 | C4 | C3 | N | 74.1° | 0.0° |
C4 | C5 | C6 | H4 | 179.1° | 179.9° |
C9 | C4 | C3 | O2 | 76.1° | 0.0° |
C9 | C4 | C3 | N | 103.7° | 180.0° |
C4 | C9 | C8 | H2 | 178.8° | 179.9° |
C9 | C4 | C5 | H3 | 179.4° | 179.9° |
CL | C9 | C4 | C3 | 3.4° | 0.0° |
CL | C9 | C8 | H2 | 5.0° | 0.1° |
C4 | C3 | O2 | N | 179.9° | 180.0° |
C4 | C3 | N | C2 | 0.1° | 180.0° |
C3 | C4 | C5 | H3 | 1.5° | 0.1° |
C4 | C3 | N | H7 | 179.9° | 0.0° |
O2 | C3 | N | C2 | 179.8° | 0.0° |
O2 | C3 | N | H7 | 0.2° | 180.0° |
C3 | N | C2 | H7 | 180.0° | 180.0° |
C3 | N | C2 | C1 | 117.2° | 180.0° |
C3 | N | C2 | H5 | 3.2° | 60.0° |
C3 | N | C2 | H6 | 122.5° | 60.0° |
O1 | C1 | C2 | N | 25.6° | 0.0° |
O1 | C1 | C2 | O | 178.7° | 180.0° |
O1 | C1 | O | C | 177.9° | 0.0° |
O1 | C1 | C2 | H5 | 94.8° | 120.0° |
O1 | C1 | C2 | H6 | 145.9° | 120.0° |
N | C2 | C1 | H5 | 120.4° | 120.0° |
N | C2 | C1 | H6 | 120.4° | 120.0° |
N | C2 | C1 | O | 153.1° | 180.0° |
N | C2 | H5 | H6 | 118.9° | 120.0° |
C2 | C1 | O | C | 0.9° | 180.0° |
C1 | C2 | H5 | H6 | 118.9° | 120.0° |
C1 | C2 | N | H7 | 62.9° | 0.0° |
O | C1 | C2 | H5 | 86.5° | 60.0° |
O | C1 | C2 | H6 | 32.7° | 60.0° |
C1 | O | C | H8 | 180.0° | 60.0° |
C1 | O | C | H9 | 60.0° | 60.0° |
C1 | O | C | H10 | 60.0° | 180.0° |
O | C | H8 | H9 | 120.0° | 120.0° |
O | C | H8 | H10 | 120.0° | 120.0° |
O | C | H9 | H10 | 120.0° | 120.0° |
H1 | C7 | C8 | H2 | 0.3° | 0.3° |
H1 | C7 | C6 | H4 | 1.3° | 0.3° |
H3 | C5 | C6 | H4 | 0.9° | 0.1° |
H5 | C2 | N | H7 | 176.8° | 120.0° |
H6 | C2 | N | H7 | 57.5° | 120.0° |
H8 | C | H9 | H10 | 120.0° | 120.0° |