VX4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C3 | sing | 1.51Å | 1.52Å | |
C4 | C5 | sing | 1.54Å | 1.52Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C2 | sing | 1.53Å | 1.55Å | |
C5 | N1 | sing | 1.48Å | 1.47Å | |
C2 | C7 | sing | 1.47Å | 1.54Å | |
O1 | C8 | doub | 1.22Å | 1.23Å | |
N1 | C8 | sing | 1.35Å | 1.35Å | |
N1 | C6 | sing | 1.45Å | 1.48Å | |
C7 | C6 | sing | 1.55Å | 1.53Å | |
C8 | C9 | sing | 1.47Å | 1.49Å | |
C9 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
C9 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
N2 | C11 | doub | 1.29Å | 1.30Å | Aromatic |
C10 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
C11 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
C10 | H15 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C4 | C5 | 113.7° | 110.1° |
C4 | C3 | C2 | 116.9° | 109.5° |
C3 | C4 | H7 | 108.4° | 109.4° |
C3 | C4 | H8 | 108.4° | 109.3° |
C4 | C3 | H5 | 107.6° | 109.5° |
C4 | C3 | H6 | 107.6° | 109.5° |
C4 | C5 | N1 | 113.7° | 112.1° |
C5 | C4 | H7 | 108.4° | 109.5° |
C5 | C4 | H8 | 108.4° | 109.2° |
C4 | C5 | H9 | 108.4° | 108.9° |
C4 | C5 | H10 | 108.4° | 109.0° |
C1 | C2 | C3 | 111.8° | 108.6° |
C1 | C2 | C7 | 109.8° | 108.5° |
C2 | C1 | H2 | 109.5° | 109.5° |
C2 | C1 | H3 | 109.5° | 109.4° |
C2 | C1 | H1 | 109.5° | 109.5° |
C1 | C2 | H4 | 107.2° | 108.5° |
C3 | C2 | C7 | 113.6° | 114.3° |
C3 | C2 | H4 | 107.0° | 108.4° |
C2 | C3 | H5 | 107.6° | 109.3° |
C2 | C3 | H6 | 107.6° | 109.6° |
C5 | N1 | C8 | 121.0° | 118.6° |
C5 | N1 | C6 | 118.7° | 122.7° |
N1 | C5 | H9 | 108.4° | 108.9° |
N1 | C5 | H10 | 108.4° | 109.0° |
C2 | C7 | C6 | 117.2° | 110.4° |
C2 | C7 | H13 | 107.5° | 109.4° |
C2 | C7 | H14 | 107.5° | 109.2° |
C7 | C2 | H4 | 107.1° | 108.4° |
O1 | C8 | N1 | 118.6° | 120.0° |
O1 | C8 | C9 | 117.3° | 120.0° |
C8 | N1 | C6 | 120.1° | 118.6° |
N1 | C8 | C9 | 124.0° | 120.0° |
N1 | C6 | C7 | 115.8° | 109.6° |
N1 | C6 | H12 | 107.9° | 109.5° |
N1 | C6 | H11 | 107.9° | 109.5° |
C7 | C6 | H12 | 107.8° | 109.4° |
C7 | C6 | H11 | 107.8° | 109.4° |
C6 | C7 | H13 | 107.5° | 109.4° |
C6 | C7 | H14 | 107.5° | 109.3° |
C8 | C9 | N2 | 120.1° | 123.1° |
C8 | C9 | C10 | 124.9° | 123.1° |
N2 | C9 | C10 | 114.8° | 113.7° |
C9 | N2 | C11 | 110.0° | 115.8° |
C9 | C10 | S1 | 109.7° | 108.8° |
C9 | C10 | H15 | 125.2° | 125.6° |
N2 | C11 | S1 | 115.4° | 110.5° |
N2 | C11 | H16 | 122.3° | 124.8° |
C10 | S1 | C11 | 89.7° | 91.1° |
S1 | C10 | H15 | 125.1° | 125.6° |
S1 | C11 | H16 | 122.3° | 124.7° |
H7 | C4 | H8 | 109.5° | 109.2° |
H9 | C5 | H10 | 109.5° | 108.9° |
H12 | C6 | H11 | 109.5° | 109.4° |
H13 | C7 | H14 | 109.5° | 109.3° |
H2 | C1 | H3 | 109.4° | 109.5° |
H2 | C1 | H1 | 109.5° | 109.5° |
H3 | C1 | H1 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C4 | C5 | H7 | 120.6° | 120.3° |
C3 | C4 | C5 | H8 | 120.7° | 120.1° |
C4 | C3 | C2 | C1 | 58.9° | 153.8° |
C4 | C3 | C2 | H5 | 121.1° | 119.9° |
C4 | C3 | C2 | H6 | 121.0° | 120.1° |
C3 | C4 | C5 | N1 | 48.1° | 40.2° |
C4 | C3 | C2 | C7 | 66.0° | 84.9° |
C3 | C4 | H7 | H8 | 118.1° | 119.6° |
C3 | C4 | C5 | H9 | 168.8° | 80.4° |
C3 | C4 | C5 | H10 | 72.5° | 161.0° |
C4 | C3 | C2 | H4 | 176.1° | 36.2° |
C4 | C3 | H5 | H6 | 116.6° | 120.0° |
C5 | C4 | C3 | C2 | 42.8° | 91.7° |
C4 | C5 | N1 | H9 | 120.6° | 120.6° |
C4 | C5 | N1 | H10 | 120.6° | 120.7° |
C4 | C5 | N1 | C8 | 107.3° | 137.8° |
C4 | C5 | N1 | C6 | 68.2° | 42.4° |
C5 | C4 | H7 | H8 | 118.1° | 119.6° |
C4 | C5 | H9 | H10 | 118.1° | 118.7° |
C5 | C4 | C3 | H5 | 163.8° | 28.1° |
C5 | C4 | C3 | H6 | 78.3° | 148.1° |
C1 | C2 | C3 | C7 | 124.9° | 121.3° |
C1 | C2 | C3 | H4 | 117.1° | 117.6° |
C1 | C2 | C7 | H4 | 116.1° | 117.6° |
C1 | C2 | C7 | C6 | 138.1° | 176.0° |
C1 | C2 | C7 | H13 | 17.0° | 55.6° |
C1 | C2 | C7 | H14 | 100.8° | 63.9° |
C2 | C1 | H2 | H3 | 120.0° | 120.0° |
C2 | C1 | H2 | H1 | 120.0° | 120.0° |
C2 | C1 | H3 | H1 | 120.0° | 120.0° |
C1 | C2 | C3 | H5 | 62.1° | 86.3° |
C1 | C2 | C3 | H6 | 180.0° | 33.7° |
C3 | C2 | C7 | H4 | 117.9° | 121.0° |
C3 | C2 | C7 | C6 | 12.1° | 62.7° |
C2 | C3 | C4 | H7 | 163.4° | 147.9° |
C2 | C3 | C4 | H8 | 77.9° | 28.4° |
C3 | C2 | C7 | H13 | 109.0° | 176.9° |
C3 | C2 | C7 | H14 | 133.2° | 57.4° |
C3 | C2 | C1 | H2 | 180.0° | 64.8° |
C3 | C2 | C1 | H3 | 60.0° | 55.2° |
C3 | C2 | C1 | H1 | 60.0° | 175.2° |
C2 | C3 | H5 | H6 | 116.7° | 120.1° |
C5 | N1 | C8 | O1 | 22.0° | 5.6° |
C5 | N1 | C8 | C6 | 175.5° | 179.7° |
C5 | N1 | C6 | C7 | 13.4° | 91.0° |
C5 | N1 | C8 | C9 | 156.2° | 174.4° |
N1 | C5 | C4 | H7 | 72.5° | 160.6° |
N1 | C5 | C4 | H8 | 168.8° | 79.9° |
N1 | C5 | H9 | H10 | 118.1° | 118.7° |
C5 | N1 | C6 | H12 | 107.5° | 29.0° |
C5 | N1 | C6 | H11 | 134.4° | 149.0° |
C2 | C7 | C6 | N1 | 67.1° | 71.2° |
C2 | C7 | C6 | H13 | 121.1° | 120.4° |
C2 | C7 | C6 | H14 | 121.1° | 120.0° |
C2 | C7 | C6 | H12 | 53.9° | 48.8° |
C2 | C7 | C6 | H11 | 172.0° | 168.7° |
C2 | C7 | H13 | H14 | 116.5° | 119.5° |
C7 | C2 | C1 | H2 | 53.0° | 60.1° |
C7 | C2 | C1 | H3 | 67.0° | 180.0° |
C7 | C2 | C1 | H1 | 173.0° | 60.0° |
C7 | C2 | C3 | H5 | 173.0° | 35.0° |
C7 | C2 | C3 | H6 | 55.1° | 155.0° |
O1 | C8 | N1 | C9 | 178.1° | 180.0° |
O1 | C8 | N1 | C6 | 153.5° | 174.1° |
O1 | C8 | C9 | N2 | 57.2° | 173.6° |
O1 | C8 | C9 | C10 | 126.1° | 6.5° |
C8 | N1 | C6 | C7 | 171.0° | 89.3° |
N1 | C8 | C9 | N2 | 124.6° | 6.5° |
N1 | C8 | C9 | C10 | 52.0° | 173.5° |
C8 | N1 | C5 | H9 | 13.3° | 17.2° |
C8 | N1 | C5 | H10 | 132.1° | 101.4° |
C8 | N1 | C6 | H12 | 68.1° | 150.7° |
C8 | N1 | C6 | H11 | 50.1° | 30.7° |
N1 | C6 | C7 | H12 | 121.0° | 120.0° |
N1 | C6 | C7 | H11 | 120.9° | 120.1° |
C6 | N1 | C8 | C9 | 28.4° | 5.8° |
C6 | N1 | C5 | H9 | 171.2° | 163.0° |
C6 | N1 | C5 | H10 | 52.4° | 78.3° |
N1 | C6 | H12 | H11 | 117.1° | 120.0° |
N1 | C6 | C7 | H13 | 54.0° | 168.4° |
N1 | C6 | C7 | H14 | 171.8° | 48.8° |
C7 | C6 | H12 | H11 | 117.1° | 119.8° |
C6 | C7 | H13 | H14 | 116.5° | 119.6° |
C6 | C7 | C2 | H4 | 105.8° | 58.3° |
C8 | C9 | N2 | C10 | 177.0° | 180.0° |
C8 | C9 | N2 | C11 | 175.4° | 179.6° |
C8 | C9 | C10 | S1 | 175.9° | 180.0° |
C8 | C9 | C10 | H15 | 4.1° | 0.3° |
N2 | C9 | C10 | S1 | 7.2° | 0.0° |
C9 | N2 | C11 | S1 | 4.5° | 0.6° |
N2 | C9 | C10 | H15 | 172.8° | 179.7° |
C9 | N2 | C11 | H16 | 175.6° | 179.9° |
C10 | C9 | N2 | C11 | 7.6° | 0.4° |
C9 | C10 | S1 | H15 | 180.0° | 179.7° |
C9 | C10 | S1 | C11 | 3.8° | 0.3° |
N2 | C11 | S1 | C10 | 0.4° | 0.5° |
N2 | C11 | S1 | H16 | 180.0° | 179.4° |
C10 | S1 | C11 | H16 | 179.6° | 179.9° |
C11 | S1 | C10 | H15 | 176.2° | 179.9° |
H7 | C4 | C5 | H9 | 48.2° | 39.9° |
H7 | C4 | C5 | H10 | 166.9° | 78.7° |
H7 | C4 | C3 | H5 | 75.5° | 92.3° |
H7 | C4 | C3 | H6 | 42.3° | 27.7° |
H8 | C4 | C5 | H9 | 70.6° | 159.5° |
H8 | C4 | C5 | H10 | 48.2° | 40.9° |
H8 | C4 | C3 | H5 | 43.2° | 148.2° |
H8 | C4 | C3 | H6 | 161.1° | 91.8° |
H12 | C6 | C7 | H13 | 175.0° | 71.5° |
H12 | C6 | C7 | H14 | 67.3° | 168.9° |
H11 | C6 | C7 | H13 | 66.9° | 48.3° |
H11 | C6 | C7 | H14 | 50.9° | 71.2° |
H13 | C7 | C2 | H4 | 133.1° | 62.0° |
H14 | C7 | C2 | H4 | 15.3° | 178.4° |
H2 | C1 | H3 | H1 | 120.0° | 120.0° |
H2 | C1 | C2 | H4 | 63.1° | 177.7° |
H3 | C1 | C2 | H4 | 177.0° | 62.3° |
H1 | C1 | C2 | H4 | 57.0° | 57.7° |
H4 | C2 | C3 | H5 | 55.0° | 156.1° |
H4 | C2 | C3 | H6 | 62.9° | 83.9° |