VCZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C6 | doub | 1.22Å | 1.23Å | |
O3 | C6 | sing | 1.35Å | 1.26Å | |
C6 | C5 | sing | 1.47Å | 1.44Å | |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C8 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
C8 | N1 | sing | 1.40Å | 1.42Å | |
C2 | O1 | sing | 1.36Å | 1.36Å | |
N1 | C9 | sing | 1.35Å | 1.35Å | |
O1 | C1 | sing | 1.43Å | 1.43Å | |
C9 | O4 | doub | 1.21Å | 1.25Å | |
C9 | C10 | sing | 1.51Å | 1.50Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
O3 | H7 | sing | 0.97Å | 0.95Å | |
N1 | H8 | sing | 0.97Å | 1.00Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C6 | O3 | 125.9° | 120.0° |
O2 | C6 | C5 | 115.2° | 120.0° |
O3 | C6 | C5 | 118.9° | 120.0° |
C6 | O3 | H7 | 109.5° | 117.0° |
C6 | C5 | C4 | 119.2° | 120.1° |
C6 | C5 | C7 | 120.4° | 120.0° |
C4 | C5 | C7 | 120.3° | 119.9° |
C5 | C4 | C3 | 120.6° | 120.0° |
C5 | C4 | H2 | 119.7° | 120.0° |
C5 | C7 | C8 | 119.7° | 119.8° |
C5 | C7 | H1 | 120.2° | 120.1° |
C4 | C3 | C2 | 119.8° | 120.1° |
C3 | C4 | H2 | 119.7° | 119.9° |
C4 | C3 | H3 | 120.1° | 119.9° |
C7 | C8 | C2 | 120.1° | 119.9° |
C7 | C8 | N1 | 121.7° | 120.0° |
C8 | C7 | H1 | 120.2° | 120.1° |
C3 | C2 | C8 | 119.5° | 120.2° |
C3 | C2 | O1 | 123.7° | 119.9° |
C2 | C3 | H3 | 120.2° | 119.9° |
C2 | C8 | N1 | 118.2° | 120.0° |
C8 | C2 | O1 | 116.7° | 119.9° |
C8 | N1 | C9 | 125.2° | 120.0° |
C8 | N1 | H8 | 117.4° | 120.0° |
C2 | O1 | C1 | 118.2° | 117.0° |
N1 | C9 | O4 | 122.8° | 120.0° |
N1 | C9 | C10 | 115.1° | 120.0° |
C9 | N1 | H8 | 117.4° | 120.0° |
O1 | C1 | H4 | 109.5° | 109.5° |
O1 | C1 | H5 | 109.4° | 109.5° |
O1 | C1 | H6 | 109.5° | 109.5° |
O4 | C9 | C10 | 122.1° | 120.0° |
C9 | C10 | H9 | 109.5° | 109.5° |
C9 | C10 | H10 | 109.5° | 109.5° |
C9 | C10 | H11 | 109.5° | 109.4° |
H4 | C1 | H5 | 109.5° | 109.5° |
H4 | C1 | H6 | 109.5° | 109.4° |
H5 | C1 | H6 | 109.5° | 109.5° |
H9 | C10 | H10 | 109.5° | 109.5° |
H9 | C10 | H11 | 109.5° | 109.5° |
H10 | C10 | H11 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C6 | O3 | C5 | 178.2° | 179.9° |
O2 | C6 | C5 | C4 | 16.7° | 179.9° |
O2 | C6 | C5 | C7 | 159.5° | 0.1° |
O2 | C6 | O3 | H7 | 0.0° | 0.0° |
O3 | C6 | C5 | C4 | 164.9° | 0.0° |
O3 | C6 | C5 | C7 | 18.9° | 180.0° |
C6 | C5 | C4 | C7 | 176.2° | 180.0° |
C6 | C5 | C4 | C3 | 177.8° | 180.0° |
C6 | C5 | C7 | C8 | 179.0° | 180.0° |
C6 | C5 | C7 | H1 | 1.0° | 0.3° |
C6 | C5 | C4 | H2 | 2.2° | 0.1° |
C5 | C6 | O3 | H7 | 178.2° | 180.0° |
C5 | C4 | C3 | H2 | 180.0° | 179.9° |
C4 | C5 | C7 | C8 | 2.8° | 0.0° |
C5 | C4 | C3 | C2 | 0.3° | 0.0° |
C4 | C5 | C7 | H1 | 177.2° | 179.7° |
C5 | C4 | C3 | H3 | 179.7° | 179.9° |
C7 | C5 | C4 | C3 | 1.5° | 0.0° |
C5 | C7 | C8 | H1 | 180.0° | 179.7° |
C5 | C7 | C8 | C2 | 2.2° | 0.0° |
C5 | C7 | C8 | N1 | 180.0° | 179.7° |
C7 | C5 | C4 | H2 | 178.5° | 179.9° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | C8 | 0.9° | 0.1° |
C4 | C3 | C2 | O1 | 178.7° | 180.0° |
C7 | C8 | C2 | C3 | 0.4° | 0.0° |
C7 | C8 | C2 | N1 | 177.9° | 179.7° |
C7 | C8 | C2 | O1 | 177.6° | 180.0° |
C7 | C8 | N1 | C9 | 47.0° | 34.7° |
C7 | C8 | N1 | H8 | 133.0° | 145.3° |
C3 | C2 | C8 | O1 | 178.0° | 179.9° |
C3 | C2 | C8 | N1 | 178.3° | 179.7° |
C3 | C2 | O1 | C1 | 10.7° | 0.1° |
C2 | C3 | C4 | H2 | 179.7° | 179.9° |
C2 | C8 | N1 | C9 | 130.8° | 145.6° |
C8 | C2 | O1 | C1 | 171.4° | 180.0° |
C2 | C8 | C7 | H1 | 177.7° | 179.7° |
C8 | C2 | C3 | H3 | 179.1° | 180.0° |
C2 | C8 | N1 | H8 | 49.2° | 34.5° |
N1 | C8 | C2 | O1 | 0.3° | 0.2° |
C8 | N1 | C9 | H8 | 180.0° | 179.9° |
C8 | N1 | C9 | O4 | 8.0° | 4.4° |
C8 | N1 | C9 | C10 | 172.7° | 175.8° |
N1 | C8 | C7 | H1 | 0.0° | 0.0° |
O1 | C2 | C3 | H3 | 1.2° | 0.1° |
C2 | O1 | C1 | H4 | 180.0° | 180.0° |
C2 | O1 | C1 | H5 | 60.0° | 60.0° |
C2 | O1 | C1 | H6 | 60.0° | 60.1° |
N1 | C9 | O4 | C10 | 179.3° | 179.8° |
N1 | C9 | C10 | H9 | 179.3° | 90.3° |
N1 | C9 | C10 | H10 | 60.7° | 29.8° |
N1 | C9 | C10 | H11 | 59.3° | 149.7° |
O1 | C1 | H4 | H5 | 120.0° | 120.0° |
O1 | C1 | H4 | H6 | 120.0° | 120.0° |
O1 | C1 | H5 | H6 | 120.0° | 120.0° |
O4 | C9 | N1 | H8 | 172.0° | 175.5° |
O4 | C9 | C10 | H9 | 0.0° | 89.9° |
O4 | C9 | C10 | H10 | 120.0° | 150.0° |
O4 | C9 | C10 | H11 | 120.0° | 30.1° |
C10 | C9 | N1 | H8 | 7.4° | 4.3° |
C9 | C10 | H9 | H10 | 120.0° | 120.1° |
C9 | C10 | H9 | H11 | 120.0° | 120.0° |
C9 | C10 | H10 | H11 | 120.0° | 120.0° |
H2 | C4 | C3 | H3 | 0.3° | 0.0° |
H4 | C1 | H5 | H6 | 120.0° | 120.0° |
H9 | C10 | H10 | H11 | 120.0° | 120.0° |