VZY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C1 | C | sing | 1.51Å | 1.50Å | |
C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C7 | sing | 1.48Å | 1.49Å | |
O | C7 | doub | 1.22Å | 1.22Å | |
C7 | N | sing | 1.35Å | 1.34Å | |
N | C8 | sing | 1.46Å | 1.45Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C9 | O2 | doub | 1.21Å | 1.30Å | |
C9 | O1 | sing | 1.34Å | 1.22Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
O1 | H5 | sing | 0.97Å | 0.95Å | |
N | H6 | sing | 0.97Å | 1.00Å | |
C3 | H7 | sing | 1.08Å | 1.08Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
C | H11 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C3 | C4 | 119.6° | 120.1° |
C3 | C2 | C1 | 121.2° | 120.3° |
C2 | C3 | H7 | 120.2° | 119.9° |
C3 | C2 | H8 | 119.4° | 119.8° |
C3 | C4 | C5 | 120.0° | 119.8° |
C3 | C4 | H1 | 120.0° | 120.1° |
C4 | C3 | H7 | 120.2° | 119.9° |
C2 | C1 | C | 121.0° | 119.9° |
C2 | C1 | C6 | 118.3° | 120.1° |
C1 | C2 | H8 | 119.4° | 119.9° |
C4 | C5 | C6 | 119.7° | 119.7° |
C4 | C5 | C7 | 118.9° | 120.2° |
C5 | C4 | H1 | 120.0° | 120.0° |
C | C1 | C6 | 120.6° | 120.0° |
C1 | C | H9 | 109.5° | 109.5° |
C1 | C | H10 | 109.5° | 109.5° |
C1 | C | H11 | 109.4° | 109.5° |
C1 | C6 | C5 | 121.1° | 119.9° |
C1 | C6 | H2 | 119.4° | 120.1° |
C6 | C5 | C7 | 121.3° | 120.1° |
C5 | C6 | H2 | 119.5° | 120.1° |
C5 | C7 | O | 119.9° | 120.0° |
C5 | C7 | N | 117.0° | 120.0° |
O | C7 | N | 123.1° | 120.0° |
C7 | N | C8 | 121.3° | 120.0° |
C7 | N | H6 | 119.3° | 120.0° |
N | C8 | C9 | 114.7° | 109.5° |
N | C8 | H3 | 108.1° | 109.5° |
N | C8 | H4 | 108.1° | 109.5° |
C8 | N | H6 | 119.3° | 120.0° |
C8 | C9 | O2 | 115.0° | 120.0° |
C8 | C9 | O1 | 123.1° | 120.0° |
C9 | C8 | H3 | 108.1° | 109.5° |
C9 | C8 | H4 | 108.1° | 109.5° |
O2 | C9 | O1 | 121.8° | 120.0° |
C9 | O1 | H5 | 109.5° | 117.0° |
H3 | C8 | H4 | 109.5° | 109.5° |
H9 | C | H10 | 109.5° | 109.4° |
H9 | C | H11 | 109.5° | 109.4° |
H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C3 | C4 | H7 | 180.0° | 179.4° |
C3 | C2 | C1 | H8 | 180.0° | 179.4° |
C2 | C3 | C4 | C5 | 1.4° | 0.0° |
C3 | C2 | C1 | C | 177.8° | 180.0° |
C3 | C2 | C1 | C6 | 0.1° | 0.9° |
C2 | C3 | C4 | H1 | 178.6° | 179.7° |
C4 | C3 | C2 | C1 | 0.1° | 0.6° |
C3 | C4 | C5 | H1 | 180.0° | 179.7° |
C3 | C4 | C5 | C6 | 2.4° | 0.3° |
C3 | C4 | C5 | C7 | 173.2° | 179.7° |
C4 | C3 | C2 | H8 | 179.9° | 180.0° |
C2 | C1 | C | C6 | 177.6° | 179.2° |
C2 | C1 | C6 | C5 | 0.9° | 0.6° |
C2 | C1 | C6 | H2 | 179.0° | 179.5° |
C1 | C2 | C3 | H7 | 179.9° | 180.0° |
C2 | C1 | C | H9 | 91.2° | 90.0° |
C2 | C1 | C | H10 | 148.8° | 150.0° |
C2 | C1 | C | H11 | 28.8° | 30.0° |
C4 | C5 | C6 | C1 | 2.2° | 0.0° |
C4 | C5 | C6 | C7 | 175.5° | 180.0° |
C4 | C5 | C7 | O | 15.7° | 180.0° |
C4 | C5 | C7 | N | 162.0° | 0.0° |
C4 | C5 | C6 | H2 | 177.7° | 180.0° |
C5 | C4 | C3 | H7 | 178.6° | 179.4° |
C | C1 | C6 | C5 | 176.7° | 179.7° |
C | C1 | C6 | H2 | 3.3° | 0.3° |
C | C1 | C2 | H8 | 2.3° | 0.6° |
C1 | C | H9 | H10 | 120.0° | 120.0° |
C1 | C | H9 | H11 | 120.0° | 120.1° |
C1 | C | H10 | H11 | 120.0° | 120.1° |
C1 | C6 | C5 | H2 | 180.0° | 180.0° |
C1 | C6 | C5 | C7 | 173.3° | 180.0° |
C6 | C1 | C2 | H8 | 179.9° | 179.7° |
C6 | C1 | C | H9 | 91.2° | 90.8° |
C6 | C1 | C | H10 | 28.8° | 29.2° |
C6 | C1 | C | H11 | 148.8° | 149.2° |
C6 | C5 | C7 | O | 168.8° | 0.0° |
C6 | C5 | C7 | N | 13.5° | 180.0° |
C6 | C5 | C4 | H1 | 177.5° | 180.0° |
C5 | C7 | O | N | 177.6° | 179.9° |
C5 | C7 | N | C8 | 175.4° | 180.0° |
C7 | C5 | C4 | H1 | 6.8° | 0.0° |
C7 | C5 | C6 | H2 | 6.7° | 0.0° |
C5 | C7 | N | H6 | 4.6° | 0.1° |
O | C7 | N | C8 | 7.0° | 0.1° |
O | C7 | N | H6 | 173.0° | 180.0° |
C7 | N | C8 | H6 | 180.0° | 179.9° |
C7 | N | C8 | C9 | 145.3° | 179.9° |
C7 | N | C8 | H3 | 24.6° | 60.0° |
C7 | N | C8 | H4 | 93.9° | 59.9° |
N | C8 | C9 | H3 | 120.8° | 120.0° |
N | C8 | C9 | H4 | 120.8° | 120.0° |
N | C8 | C9 | O2 | 0.3° | 0.0° |
N | C8 | C9 | O1 | 176.9° | 180.0° |
N | C8 | H3 | H4 | 117.6° | 120.0° |
C8 | C9 | O2 | O1 | 177.2° | 179.9° |
C9 | C8 | H3 | H4 | 117.6° | 120.0° |
C8 | C9 | O1 | H5 | 177.0° | 179.9° |
C9 | C8 | N | H6 | 34.7° | 0.0° |
O2 | C9 | C8 | H3 | 120.5° | 120.0° |
O2 | C9 | C8 | H4 | 121.0° | 120.0° |
O2 | C9 | O1 | H5 | 0.0° | 0.0° |
O1 | C9 | C8 | H3 | 62.3° | 60.0° |
O1 | C9 | C8 | H4 | 56.2° | 60.0° |
H1 | C4 | C3 | H7 | 1.4° | 0.3° |
H3 | C8 | N | H6 | 155.5° | 120.0° |
H4 | C8 | N | H6 | 86.1° | 120.0° |
H7 | C3 | C2 | H8 | 0.1° | 0.6° |
H9 | C | H10 | H11 | 120.0° | 119.9° |