SO7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C11 | doub | 1.21Å | 1.23Å | |
C11 | N1 | sing | 1.35Å | 1.46Å | |
C11 | C9 | sing | 1.51Å | 1.51Å | |
C13 | N1 | sing | 1.46Å | 1.51Å | |
C10 | C9 | sing | 1.55Å | 1.54Å | |
C10 | C | sing | 1.51Å | 1.52Å | |
N1 | O3 | sing | 1.42Å | 1.39Å | |
C9 | C8 | sing | 1.55Å | 1.56Å | |
C | O | doub | 1.21Å | 1.22Å | |
C | N | sing | 1.34Å | 1.41Å | |
C8 | N | sing | 1.47Å | 1.47Å | |
N | C1 | sing | 1.40Å | 1.43Å | |
O3 | C12 | sing | 1.43Å | 1.44Å | |
C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
C1 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | O1 | sing | 1.36Å | 1.38Å | |
C5 | O1 | sing | 1.43Å | 1.42Å | |
C5 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.09Å | 1.10Å | |
C2 | H16 | sing | 1.08Å | 1.08Å | |
C3 | H17 | sing | 1.08Å | 1.08Å | |
C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C11 | N1 | 117.9° | 120.0° |
O2 | C11 | C9 | 124.1° | 120.0° |
N1 | C11 | C9 | 118.0° | 120.0° |
C11 | N1 | C13 | 117.0° | 120.0° |
C11 | N1 | O3 | 113.8° | 119.9° |
C11 | C9 | C10 | 113.4° | 111.0° |
C11 | C9 | C8 | 111.7° | 111.0° |
C11 | C9 | H18 | 109.4° | 110.9° |
C13 | N1 | O3 | 111.1° | 120.1° |
N1 | C13 | H10 | 109.5° | 109.4° |
N1 | C13 | H11 | 109.4° | 109.5° |
N1 | C13 | H12 | 109.5° | 109.4° |
C9 | C10 | C | 101.7° | 104.2° |
C10 | C9 | C8 | 104.2° | 101.7° |
C9 | C10 | H8 | 111.4° | 110.5° |
C9 | C10 | H9 | 111.4° | 110.5° |
C10 | C9 | H18 | 109.1° | 111.0° |
C10 | C | O | 126.0° | 124.9° |
C10 | C | N | 108.0° | 110.1° |
C | C10 | H8 | 111.4° | 110.5° |
C | C10 | H9 | 111.4° | 110.5° |
N1 | O3 | C12 | 110.6° | 114.0° |
C9 | C8 | N | 101.1° | 105.5° |
C9 | C8 | H6 | 111.5° | 110.2° |
C9 | C8 | H7 | 111.5° | 110.3° |
C8 | C9 | H18 | 108.9° | 111.0° |
O | C | N | 126.0° | 125.0° |
C | N | C8 | 112.3° | 111.3° |
C | N | C1 | 126.7° | 124.3° |
C8 | N | C1 | 121.0° | 124.4° |
N | C8 | H6 | 111.6° | 110.3° |
N | C8 | H7 | 111.5° | 110.3° |
N | C1 | C2 | 120.5° | 120.0° |
N | C1 | C7 | 119.1° | 120.0° |
O3 | C12 | H13 | 109.5° | 109.5° |
O3 | C12 | H14 | 109.5° | 109.5° |
O3 | C12 | H15 | 109.5° | 109.5° |
C2 | C1 | C7 | 120.4° | 120.0° |
C1 | C2 | C3 | 120.0° | 120.0° |
C1 | C2 | H16 | 120.0° | 120.0° |
C1 | C7 | C6 | 119.6° | 120.0° |
C1 | C7 | H5 | 120.2° | 120.0° |
C2 | C3 | C4 | 118.9° | 120.0° |
C3 | C2 | H16 | 120.0° | 120.0° |
C2 | C3 | H17 | 120.5° | 120.0° |
C7 | C6 | C4 | 119.0° | 120.0° |
C7 | C6 | H4 | 120.5° | 120.0° |
C6 | C7 | H5 | 120.2° | 120.0° |
C3 | C4 | C6 | 122.0° | 120.1° |
C3 | C4 | O1 | 117.9° | 119.9° |
C4 | C3 | H17 | 120.6° | 120.0° |
C6 | C4 | O1 | 120.0° | 120.0° |
C4 | C6 | H4 | 120.5° | 120.0° |
C4 | O1 | C5 | 111.8° | 117.0° |
O1 | C5 | H1 | 109.5° | 109.4° |
O1 | C5 | H2 | 109.5° | 109.5° |
O1 | C5 | H3 | 109.4° | 109.4° |
H1 | C5 | H2 | 109.5° | 109.5° |
H1 | C5 | H3 | 109.5° | 109.5° |
H2 | C5 | H3 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.4° | 110.2° |
H8 | C10 | H9 | 109.5° | 110.5° |
H10 | C13 | H11 | 109.5° | 109.5° |
H10 | C13 | H12 | 109.4° | 109.5° |
H11 | C13 | H12 | 109.4° | 109.5° |
H13 | C12 | H14 | 109.5° | 109.5° |
H13 | C12 | H15 | 109.5° | 109.5° |
H14 | C12 | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C11 | N1 | C9 | 179.6° | 180.0° |
O2 | C11 | N1 | C13 | 27.8° | 175.8° |
O2 | C11 | C9 | C10 | 29.3° | 108.3° |
O2 | C11 | N1 | O3 | 159.5° | 4.4° |
O2 | C11 | C9 | C8 | 87.9° | 4.0° |
O2 | C11 | C9 | H18 | 151.4° | 127.9° |
C11 | N1 | C13 | O3 | 133.0° | 179.8° |
N1 | C11 | C9 | C10 | 150.2° | 71.7° |
N1 | C11 | C9 | C8 | 92.5° | 175.9° |
C11 | N1 | O3 | C12 | 119.2° | 96.3° |
C11 | N1 | C13 | H10 | 180.0° | 89.8° |
C11 | N1 | C13 | H11 | 60.0° | 30.2° |
C11 | N1 | C13 | H12 | 60.0° | 150.3° |
N1 | C11 | C9 | H18 | 28.1° | 52.1° |
C9 | C11 | N1 | C13 | 152.7° | 4.2° |
C11 | C9 | C10 | C8 | 121.6° | 118.1° |
C11 | C9 | C10 | H18 | 122.2° | 123.8° |
C11 | C9 | C10 | C | 156.0° | 93.3° |
C9 | C11 | N1 | O3 | 20.9° | 175.6° |
C11 | C9 | C8 | H18 | 121.0° | 123.8° |
C11 | C9 | C8 | N | 155.9° | 92.7° |
C11 | C9 | C8 | H6 | 37.3° | 148.3° |
C11 | C9 | C8 | H7 | 85.4° | 26.4° |
C11 | C9 | C10 | H8 | 85.3° | 25.4° |
C11 | C9 | C10 | H9 | 37.3° | 148.0° |
C13 | N1 | O3 | C12 | 106.2° | 83.9° |
N1 | C13 | H10 | H11 | 120.0° | 120.0° |
N1 | C13 | H10 | H12 | 120.0° | 119.9° |
N1 | C13 | H11 | H12 | 120.0° | 120.0° |
C9 | C10 | C | H8 | 118.8° | 118.7° |
C9 | C10 | C | H9 | 118.7° | 118.7° |
C10 | C9 | C8 | H18 | 116.3° | 118.1° |
C9 | C10 | C | O | 155.2° | 163.8° |
C9 | C10 | C | N | 22.9° | 16.3° |
C10 | C9 | C8 | N | 33.2° | 25.4° |
C10 | C9 | C8 | H6 | 85.4° | 93.6° |
C10 | C9 | C8 | H7 | 151.9° | 144.5° |
C9 | C10 | H8 | H9 | 123.6° | 122.6° |
C | C10 | C9 | C8 | 34.4° | 24.8° |
C10 | C | O | N | 177.8° | 180.0° |
C10 | C | N | C8 | 1.8° | 0.4° |
C10 | C | N | C1 | 176.4° | 179.5° |
C | C10 | H8 | H9 | 123.6° | 122.6° |
C | C10 | C9 | H18 | 81.8° | 142.9° |
O3 | N1 | C13 | H10 | 47.1° | 90.0° |
O3 | N1 | C13 | H11 | 73.0° | 150.0° |
O3 | N1 | C13 | H12 | 167.0° | 29.9° |
N1 | O3 | C12 | H13 | 180.0° | 56.7° |
N1 | O3 | C12 | H14 | 60.0° | 63.4° |
N1 | O3 | C12 | H15 | 60.0° | 176.7° |
C9 | C8 | N | C | 19.8° | 17.0° |
C9 | C8 | N | H6 | 118.6° | 119.0° |
C9 | C8 | N | H7 | 118.7° | 119.1° |
C9 | C8 | N | C1 | 161.9° | 162.9° |
C9 | C8 | H6 | H7 | 123.9° | 122.0° |
C8 | C9 | C10 | H8 | 153.2° | 143.5° |
C8 | C9 | C10 | H9 | 84.3° | 93.9° |
O | C | N | C8 | 176.3° | 179.6° |
O | C | N | C1 | 5.4° | 0.5° |
O | C | C10 | H8 | 36.5° | 45.1° |
O | C | C10 | H9 | 86.0° | 77.5° |
C | N | C8 | C1 | 178.3° | 179.9° |
C | N | C1 | C2 | 17.0° | 174.5° |
C | N | C1 | C7 | 161.2° | 5.4° |
C | N | C8 | H6 | 98.8° | 102.0° |
C | N | C8 | H7 | 138.4° | 136.1° |
N | C | C10 | H8 | 141.7° | 134.9° |
N | C | C10 | H9 | 95.9° | 102.4° |
C8 | N | C1 | C2 | 164.9° | 5.6° |
C8 | N | C1 | C7 | 16.9° | 174.5° |
N | C8 | H6 | H7 | 123.9° | 121.9° |
N | C8 | C9 | H18 | 83.1° | 143.5° |
N | C1 | C2 | C7 | 178.1° | 179.9° |
N | C1 | C2 | C3 | 177.2° | 179.7° |
N | C1 | C7 | C6 | 177.2° | 180.0° |
N | C1 | C7 | H5 | 2.8° | 0.1° |
C1 | N | C8 | H6 | 79.5° | 78.1° |
C1 | N | C8 | H7 | 43.2° | 43.8° |
N | C1 | C2 | H16 | 2.8° | 0.1° |
O3 | C12 | H13 | H14 | 120.0° | 120.0° |
O3 | C12 | H13 | H15 | 120.0° | 120.0° |
O3 | C12 | H14 | H15 | 120.0° | 120.0° |
C1 | C2 | C3 | H16 | 180.0° | 179.8° |
C2 | C1 | C7 | C6 | 0.9° | 0.1° |
C1 | C2 | C3 | C4 | 0.1° | 0.4° |
C2 | C1 | C7 | H5 | 179.1° | 180.0° |
C1 | C2 | C3 | H17 | 179.9° | 180.0° |
C7 | C1 | C2 | C3 | 1.0° | 0.2° |
C1 | C7 | C6 | H5 | 180.0° | 179.9° |
C1 | C7 | C6 | C4 | 0.0° | 0.1° |
C1 | C7 | C6 | H4 | 180.0° | 180.0° |
C7 | C1 | C2 | H16 | 179.0° | 180.0° |
C2 | C3 | C4 | H17 | 180.0° | 179.6° |
C2 | C3 | C4 | C6 | 0.8° | 0.4° |
C2 | C3 | C4 | O1 | 177.8° | 179.8° |
C7 | C6 | C4 | C3 | 0.9° | 0.2° |
C7 | C6 | C4 | H4 | 180.0° | 180.0° |
C7 | C6 | C4 | O1 | 177.7° | 180.0° |
C3 | C4 | C6 | O1 | 178.6° | 179.8° |
C3 | C4 | O1 | C5 | 53.9° | 0.2° |
C3 | C4 | C6 | H4 | 179.1° | 179.8° |
C4 | C3 | C2 | H16 | 179.9° | 179.7° |
C6 | C4 | O1 | C5 | 124.7° | 180.0° |
C4 | C6 | C7 | H5 | 180.0° | 180.0° |
C6 | C4 | C3 | H17 | 179.2° | 180.0° |
C4 | O1 | C5 | H1 | 180.0° | 60.1° |
C4 | O1 | C5 | H2 | 60.0° | 60.0° |
C4 | O1 | C5 | H3 | 60.0° | 180.0° |
O1 | C4 | C6 | H4 | 2.3° | 0.0° |
O1 | C4 | C3 | H17 | 2.2° | 0.2° |
O1 | C5 | H1 | H2 | 120.0° | 120.0° |
O1 | C5 | H1 | H3 | 120.0° | 119.9° |
O1 | C5 | H2 | H3 | 120.0° | 120.0° |
H1 | C5 | H2 | H3 | 120.0° | 120.1° |
H4 | C6 | C7 | H5 | 0.0° | 0.1° |
H6 | C8 | C9 | H18 | 158.2° | 24.5° |
H7 | C8 | C9 | H18 | 35.5° | 97.4° |
H8 | C10 | C9 | H18 | 37.0° | 98.4° |
H9 | C10 | C9 | H18 | 159.5° | 24.3° |
H10 | C13 | H11 | H12 | 119.9° | 120.0° |
H13 | C12 | H14 | H15 | 120.0° | 120.0° |
H16 | C2 | C3 | H17 | 0.1° | 0.2° |