S7V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | O1 | sing | 1.43Å | 1.41Å | |
C11 | C10 | sing | 1.53Å | 1.54Å | |
O1 | C1 | sing | 1.43Å | 1.40Å | |
C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.51Å | 1.52Å | |
N | C10 | sing | 1.47Å | 1.50Å | |
N | C3 | sing | 1.47Å | 1.52Å | |
N | C2 | sing | 1.47Å | 1.51Å | |
C2 | C1 | sing | 1.53Å | 1.56Å | |
C1 | C | sing | 1.53Å | 1.56Å | |
C | O | sing | 1.43Å | 1.40Å | |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
O | H10 | sing | 0.97Å | 0.95Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C3 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | C8 | C9 | 120.7° | 120.0° |
C8 | C7 | C6 | 118.8° | 120.0° |
C8 | C7 | H3 | 120.6° | 120.0° |
C7 | C8 | H4 | 119.6° | 120.1° |
C8 | C9 | C4 | 120.3° | 120.0° |
C9 | C8 | H4 | 119.7° | 119.9° |
C8 | C9 | H18 | 119.8° | 120.0° |
C7 | C6 | C5 | 120.8° | 120.0° |
C7 | C6 | H2 | 119.6° | 120.0° |
C6 | C7 | H3 | 120.6° | 119.9° |
C9 | C4 | C5 | 118.5° | 120.1° |
C9 | C4 | C3 | 120.5° | 120.0° |
C4 | C9 | H18 | 119.8° | 120.0° |
C6 | C5 | C4 | 120.7° | 120.0° |
C6 | C5 | H1 | 119.6° | 120.0° |
C5 | C6 | H2 | 119.6° | 120.0° |
O1 | C11 | C10 | 111.7° | 109.3° |
C11 | O1 | C1 | 115.1° | 113.7° |
O1 | C11 | H12 | 108.9° | 109.5° |
O1 | C11 | H13 | 108.9° | 109.6° |
C11 | C10 | N | 108.7° | 109.2° |
C11 | C10 | H5 | 109.7° | 109.5° |
C11 | C10 | H6 | 109.7° | 109.5° |
C10 | C11 | H12 | 108.9° | 109.4° |
C10 | C11 | H13 | 108.9° | 109.5° |
O1 | C1 | C2 | 109.0° | 109.2° |
O1 | C1 | C | 102.9° | 109.5° |
O1 | C1 | H11 | 112.1° | 109.6° |
C5 | C4 | C3 | 120.9° | 120.0° |
C4 | C5 | H1 | 119.6° | 120.1° |
C4 | C3 | N | 111.5° | 109.5° |
C4 | C3 | H16 | 109.0° | 109.5° |
C4 | C3 | H17 | 109.0° | 109.4° |
C10 | N | C3 | 112.9° | 111.0° |
C10 | N | C2 | 110.8° | 110.8° |
N | C10 | H5 | 109.6° | 109.5° |
N | C10 | H6 | 109.7° | 109.5° |
C3 | N | C2 | 109.9° | 111.0° |
N | C3 | H16 | 109.0° | 109.5° |
N | C3 | H17 | 108.9° | 109.5° |
N | C2 | C1 | 110.5° | 109.3° |
N | C2 | H14 | 109.2° | 109.5° |
N | C2 | H15 | 109.2° | 109.5° |
C2 | C1 | C | 113.3° | 109.5° |
C2 | C1 | H11 | 109.7° | 109.6° |
C1 | C2 | H14 | 109.2° | 109.5° |
C1 | C2 | H15 | 109.2° | 109.5° |
C1 | C | O | 115.0° | 109.5° |
C1 | C | H8 | 108.1° | 109.5° |
C1 | C | H9 | 108.1° | 109.5° |
C | C1 | H11 | 109.7° | 109.5° |
O | C | H8 | 108.1° | 109.5° |
O | C | H9 | 108.1° | 109.4° |
C | O | H10 | 109.5° | 114.0° |
H5 | C10 | H6 | 109.5° | 109.6° |
H8 | C | H9 | 109.5° | 109.5° |
H12 | C11 | H13 | 109.5° | 109.5° |
H14 | C2 | H15 | 109.5° | 109.5° |
H16 | C3 | H17 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C7 | C8 | C9 | H4 | 180.0° | 179.7° |
C8 | C7 | C6 | H3 | 180.0° | 180.0° |
C7 | C8 | C9 | C4 | 0.3° | 0.5° |
C8 | C7 | C6 | C5 | 0.6° | 0.1° |
C8 | C7 | C6 | H2 | 179.4° | 180.0° |
C7 | C8 | C9 | H18 | 179.8° | 180.0° |
C9 | C8 | C7 | C6 | 0.9° | 0.3° |
C8 | C9 | C4 | H18 | 180.0° | 179.5° |
C8 | C9 | C4 | C5 | 0.8° | 0.5° |
C8 | C9 | C4 | C3 | 177.1° | 179.8° |
C9 | C8 | C7 | H3 | 179.1° | 179.7° |
C7 | C6 | C5 | H2 | 180.0° | 179.9° |
C7 | C6 | C5 | C4 | 0.4° | 0.1° |
C7 | C6 | C5 | H1 | 179.6° | 180.0° |
C6 | C7 | C8 | H4 | 179.1° | 180.0° |
C9 | C4 | C5 | C6 | 1.1° | 0.3° |
C9 | C4 | C5 | C3 | 177.9° | 179.7° |
C9 | C4 | C3 | N | 90.9° | 89.7° |
C9 | C4 | C5 | H1 | 178.9° | 179.7° |
C4 | C9 | C8 | H4 | 179.7° | 179.8° |
C9 | C4 | C3 | H16 | 29.4° | 30.3° |
C9 | C4 | C3 | H17 | 148.8° | 150.2° |
C6 | C5 | C4 | H1 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 176.8° | 180.0° |
C5 | C6 | C7 | H3 | 179.4° | 179.9° |
O1 | C11 | C10 | H12 | 120.4° | 119.9° |
O1 | C11 | C10 | H13 | 120.3° | 120.0° |
O1 | C11 | C10 | N | 40.6° | 56.9° |
C11 | O1 | C1 | C2 | 66.1° | 58.6° |
C11 | O1 | C1 | C | 173.4° | 61.3° |
O1 | C11 | C10 | H5 | 160.4° | 63.0° |
O1 | C11 | C10 | H6 | 79.3° | 176.8° |
C11 | O1 | C1 | H11 | 55.5° | 178.6° |
O1 | C11 | H12 | H13 | 119.0° | 120.1° |
C10 | C11 | O1 | C1 | 23.5° | 58.7° |
C11 | C10 | N | H5 | 119.9° | 119.9° |
C11 | C10 | N | H6 | 119.9° | 119.9° |
C11 | C10 | N | C3 | 174.2° | 177.6° |
C11 | C10 | N | C2 | 62.0° | 58.7° |
C11 | C10 | H5 | H6 | 120.4° | 120.1° |
C10 | C11 | H12 | H13 | 118.9° | 120.1° |
O1 | C1 | C2 | N | 40.4° | 56.8° |
O1 | C1 | C2 | C | 113.9° | 119.9° |
O1 | C1 | C2 | H11 | 123.1° | 120.0° |
O1 | C1 | C | H11 | 119.5° | 120.1° |
O1 | C1 | C | O | 128.7° | 65.1° |
O1 | C1 | C | H8 | 110.5° | 174.9° |
O1 | C1 | C | H9 | 7.9° | 54.8° |
C1 | O1 | C11 | H12 | 143.8° | 178.5° |
C1 | O1 | C11 | H13 | 96.9° | 61.3° |
O1 | C1 | C2 | H14 | 79.8° | 176.7° |
O1 | C1 | C2 | H15 | 160.5° | 63.2° |
C5 | C4 | C3 | N | 91.3° | 90.0° |
C4 | C5 | C6 | H2 | 179.6° | 180.0° |
C5 | C4 | C3 | H16 | 148.4° | 150.0° |
C5 | C4 | C3 | H17 | 29.0° | 30.0° |
C5 | C4 | C9 | H18 | 179.2° | 180.0° |
C4 | C3 | N | C10 | 69.1° | 66.0° |
C4 | C3 | N | H16 | 120.3° | 120.0° |
C4 | C3 | N | H17 | 120.3° | 120.0° |
C4 | C3 | N | C2 | 166.7° | 170.3° |
C3 | C4 | C5 | H1 | 3.2° | 0.0° |
C4 | C3 | H16 | H17 | 119.1° | 119.9° |
C3 | C4 | C9 | H18 | 2.9° | 0.3° |
C10 | N | C3 | C2 | 124.2° | 123.6° |
C10 | N | C2 | C1 | 21.0° | 58.7° |
N | C10 | H5 | H6 | 120.3° | 120.2° |
N | C10 | C11 | H12 | 79.8° | 176.8° |
N | C10 | C11 | H13 | 160.9° | 63.1° |
C10 | N | C2 | H14 | 141.1° | 178.6° |
C10 | N | C2 | H15 | 99.2° | 61.3° |
C10 | N | C3 | H16 | 170.6° | 173.9° |
C10 | N | C3 | H17 | 51.2° | 53.9° |
C3 | N | C2 | C1 | 146.4° | 177.6° |
C3 | N | C10 | H5 | 54.4° | 62.5° |
C3 | N | C10 | H6 | 65.8° | 57.7° |
C3 | N | C2 | H14 | 93.4° | 57.7° |
C3 | N | C2 | H15 | 26.3° | 62.5° |
N | C3 | H16 | H17 | 119.0° | 120.0° |
N | C2 | C1 | H14 | 120.2° | 119.9° |
N | C2 | C1 | H15 | 120.1° | 120.0° |
N | C2 | C1 | C | 154.3° | 63.1° |
C2 | N | C10 | H5 | 178.1° | 61.3° |
C2 | N | C10 | H6 | 57.9° | 178.5° |
N | C2 | C1 | H11 | 82.7° | 176.9° |
N | C2 | H14 | H15 | 119.5° | 120.1° |
C2 | N | C3 | H16 | 46.3° | 50.3° |
C2 | N | C3 | H17 | 73.0° | 69.7° |
C2 | C1 | C | H11 | 123.0° | 120.1° |
C2 | C1 | C | O | 11.2° | 175.1° |
C2 | C1 | C | H8 | 132.0° | 55.1° |
C2 | C1 | C | H9 | 109.6° | 64.9° |
C1 | C2 | H14 | H15 | 119.5° | 120.1° |
C1 | C | O | H8 | 120.8° | 120.0° |
C1 | C | O | H9 | 120.8° | 120.0° |
C1 | C | H8 | H9 | 117.5° | 120.0° |
C1 | C | O | H10 | 180.0° | 180.0° |
C | C1 | C2 | H14 | 34.1° | 56.9° |
C | C1 | C2 | H15 | 85.6° | 176.9° |
O | C | H8 | H9 | 117.5° | 120.0° |
O | C | C1 | H11 | 111.9° | 55.0° |
H1 | C5 | C6 | H2 | 0.4° | 0.0° |
H2 | C6 | C7 | H3 | 0.6° | 0.0° |
H3 | C7 | C8 | H4 | 0.9° | 0.0° |
H4 | C8 | C9 | H18 | 0.2° | 0.3° |
H5 | C10 | C11 | H12 | 40.0° | 56.9° |
H5 | C10 | C11 | H13 | 79.3° | 177.0° |
H6 | C10 | C11 | H12 | 160.3° | 63.3° |
H6 | C10 | C11 | H13 | 41.0° | 56.8° |
H8 | C | O | H10 | 59.2° | 60.0° |
H8 | C | C1 | H11 | 9.0° | 65.0° |
H9 | C | O | H10 | 59.2° | 60.0° |
H9 | C | C1 | H11 | 127.4° | 174.9° |
H11 | C1 | C2 | H14 | 157.1° | 63.2° |
H11 | C1 | C2 | H15 | 37.4° | 56.9° |