T6H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C10 | N | sing | 1.46Å | 1.46Å | |
C11 | S | sing | 1.81Å | 1.82Å | |
N | C9 | sing | 1.35Å | 1.34Å | |
O1 | C9 | doub | 1.21Å | 1.22Å | |
C9 | C1 | sing | 1.51Å | 1.52Å | |
C8 | C1 | sing | 1.53Å | 1.53Å | |
C1 | O | sing | 1.43Å | 1.44Å | |
C1 | C | sing | 1.53Å | 1.53Å | |
O | C2 | sing | 1.36Å | 1.39Å | |
C7 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
N | H1 | sing | 0.97Å | 1.00Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C | H4 | sing | 1.09Å | 1.10Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.08Å | 1.08Å | |
C6 | H12 | sing | 1.08Å | 1.08Å | |
C7 | H13 | sing | 1.08Å | 1.08Å | |
C8 | H14 | sing | 1.09Å | 1.10Å | |
C8 | H15 | sing | 1.09Å | 1.10Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
S | H17 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | N | 114.4° | 109.5° |
C10 | C11 | S | 112.3° | 109.5° |
C11 | C10 | H7 | 108.2° | 109.5° |
C11 | C10 | H8 | 108.2° | 109.5° |
C10 | C11 | H9 | 108.7° | 109.4° |
C10 | C11 | H10 | 108.7° | 109.5° |
C10 | N | C9 | 121.5° | 120.0° |
C10 | N | H1 | 119.3° | 120.0° |
N | C10 | H7 | 108.2° | 109.4° |
N | C10 | H8 | 108.2° | 109.5° |
S | C11 | H9 | 108.7° | 109.5° |
S | C11 | H10 | 108.7° | 109.5° |
C11 | S | H17 | 102.0° | 103.0° |
N | C9 | O1 | 121.9° | 120.0° |
N | C9 | C1 | 118.0° | 120.0° |
C9 | N | H1 | 119.3° | 120.0° |
O1 | C9 | C1 | 120.1° | 120.0° |
C9 | C1 | C8 | 108.3° | 109.5° |
C9 | C1 | O | 111.4° | 109.5° |
C9 | C1 | C | 110.1° | 109.5° |
C8 | C1 | O | 106.5° | 109.5° |
C8 | C1 | C | 108.4° | 109.5° |
C1 | C8 | H14 | 109.5° | 109.4° |
C1 | C8 | H15 | 109.5° | 109.5° |
C1 | C8 | H16 | 109.4° | 109.5° |
O | C1 | C | 111.9° | 109.4° |
C1 | O | C2 | 124.4° | 117.0° |
C1 | C | H4 | 109.5° | 109.5° |
C1 | C | H5 | 109.5° | 109.5° |
C1 | C | H6 | 109.5° | 109.5° |
O | C2 | C7 | 124.3° | 120.1° |
O | C2 | C3 | 117.5° | 120.0° |
C2 | C7 | C6 | 120.4° | 120.0° |
C7 | C2 | C3 | 118.2° | 119.9° |
C2 | C7 | H13 | 119.8° | 120.0° |
C7 | C6 | C5 | 121.1° | 120.0° |
C7 | C6 | H12 | 119.4° | 120.0° |
C6 | C7 | H13 | 119.8° | 120.0° |
C2 | C3 | C4 | 121.2° | 119.9° |
C2 | C3 | H2 | 119.4° | 120.1° |
C6 | C5 | C4 | 118.9° | 120.1° |
C6 | C5 | H11 | 120.6° | 120.0° |
C5 | C6 | H12 | 119.4° | 120.0° |
C3 | C4 | C5 | 120.2° | 120.0° |
C4 | C3 | H2 | 119.4° | 120.0° |
C3 | C4 | H3 | 119.9° | 120.0° |
C5 | C4 | H3 | 119.9° | 120.0° |
C4 | C5 | H11 | 120.5° | 119.9° |
H4 | C | H5 | 109.5° | 109.5° |
H4 | C | H6 | 109.5° | 109.4° |
H5 | C | H6 | 109.5° | 109.4° |
H7 | C10 | H8 | 109.5° | 109.5° |
H9 | C11 | H10 | 109.5° | 109.4° |
H14 | C8 | H15 | 109.5° | 109.5° |
H14 | C8 | H16 | 109.5° | 109.5° |
H15 | C8 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | N | H7 | 120.7° | 120.0° |
C11 | C10 | N | H8 | 120.7° | 120.0° |
C10 | C11 | S | H9 | 120.4° | 120.0° |
C10 | C11 | S | H10 | 120.4° | 120.0° |
C11 | C10 | N | C9 | 95.0° | 180.0° |
C11 | C10 | N | H1 | 85.0° | 0.1° |
C11 | C10 | H7 | H8 | 117.7° | 120.0° |
C10 | C11 | H9 | H10 | 118.7° | 120.0° |
C10 | C11 | S | H17 | 180.0° | 180.0° |
N | C10 | C11 | S | 70.5° | 180.0° |
C10 | N | C9 | H1 | 180.0° | 179.9° |
C10 | N | C9 | O1 | 0.3° | 0.1° |
C10 | N | C9 | C1 | 179.7° | 180.0° |
N | C10 | H7 | H8 | 117.8° | 120.0° |
N | C10 | C11 | H9 | 49.9° | 60.0° |
N | C10 | C11 | H10 | 169.1° | 59.9° |
S | C11 | C10 | H7 | 50.2° | 60.0° |
S | C11 | C10 | H8 | 168.8° | 60.0° |
S | C11 | H9 | H10 | 118.7° | 120.0° |
N | C9 | O1 | C1 | 179.5° | 180.0° |
N | C9 | C1 | C8 | 91.1° | 60.0° |
N | C9 | C1 | O | 25.7° | 180.0° |
N | C9 | C1 | C | 150.4° | 60.0° |
C9 | N | C10 | H7 | 144.3° | 60.1° |
C9 | N | C10 | H8 | 25.7° | 59.9° |
O1 | C9 | C1 | C8 | 88.4° | 120.0° |
O1 | C9 | C1 | O | 154.9° | 0.0° |
O1 | C9 | C1 | C | 30.1° | 120.0° |
O1 | C9 | N | H1 | 179.8° | 180.0° |
C9 | C1 | C8 | O | 119.9° | 120.0° |
C9 | C1 | C8 | C | 119.5° | 120.0° |
C9 | C1 | O | C | 123.8° | 120.0° |
C9 | C1 | O | C2 | 66.0° | 60.3° |
C1 | C9 | N | H1 | 0.3° | 0.0° |
C9 | C1 | C | H4 | 180.0° | 67.9° |
C9 | C1 | C | H5 | 60.0° | 52.2° |
C9 | C1 | C | H6 | 60.0° | 172.1° |
C9 | C1 | C8 | H14 | 180.0° | 179.7° |
C9 | C1 | C8 | H15 | 60.0° | 60.3° |
C9 | C1 | C8 | H16 | 60.0° | 59.7° |
C8 | C1 | O | C | 118.3° | 119.9° |
C8 | C1 | O | C2 | 176.1° | 179.7° |
C8 | C1 | C | H4 | 61.7° | 172.1° |
C8 | C1 | C | H5 | 58.4° | 67.9° |
C8 | C1 | C | H6 | 178.4° | 52.1° |
C1 | C8 | H14 | H15 | 120.0° | 120.0° |
C1 | C8 | H14 | H16 | 120.0° | 120.0° |
C1 | C8 | H15 | H16 | 120.0° | 120.0° |
C1 | O | C2 | C7 | 29.2° | 4.9° |
C1 | O | C2 | C3 | 151.6° | 174.7° |
O | C1 | C | H4 | 55.5° | 52.1° |
O | C1 | C | H5 | 175.5° | 172.2° |
O | C1 | C | H6 | 64.5° | 67.9° |
O | C1 | C8 | H14 | 60.1° | 59.7° |
O | C1 | C8 | H15 | 59.9° | 179.7° |
O | C1 | C8 | H16 | 179.9° | 60.3° |
C | C1 | O | C2 | 57.7° | 59.7° |
C1 | C | H4 | H5 | 120.0° | 120.0° |
C1 | C | H4 | H6 | 120.0° | 120.1° |
C1 | C | H5 | H6 | 120.0° | 120.0° |
C | C1 | C8 | H14 | 60.5° | 60.3° |
C | C1 | C8 | H15 | 179.5° | 59.8° |
C | C1 | C8 | H16 | 59.5° | 179.8° |
O | C2 | C7 | C3 | 179.2° | 179.7° |
O | C2 | C7 | C6 | 177.9° | 179.8° |
O | C2 | C3 | C4 | 179.2° | 180.0° |
O | C2 | C3 | H2 | 0.8° | 0.1° |
O | C2 | C7 | H13 | 2.1° | 0.3° |
C2 | C7 | C6 | H13 | 180.0° | 179.5° |
C2 | C7 | C6 | C5 | 1.6° | 0.5° |
C7 | C2 | C3 | C4 | 0.1° | 0.3° |
C7 | C2 | C3 | H2 | 179.9° | 179.8° |
C2 | C7 | C6 | H12 | 178.4° | 179.8° |
C6 | C7 | C2 | C3 | 1.4° | 0.5° |
C7 | C6 | C5 | H12 | 180.0° | 179.7° |
C7 | C6 | C5 | C4 | 0.6° | 0.3° |
C7 | C6 | C5 | H11 | 179.4° | 179.7° |
C2 | C3 | C4 | H2 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.9° | 0.1° |
C2 | C3 | C4 | H3 | 179.0° | 180.0° |
C3 | C2 | C7 | H13 | 178.6° | 180.0° |
C6 | C5 | C4 | C3 | 0.7° | 0.1° |
C6 | C5 | C4 | H11 | 180.0° | 180.0° |
C6 | C5 | C4 | H3 | 179.3° | 180.0° |
C5 | C6 | C7 | H13 | 178.4° | 180.0° |
C3 | C4 | C5 | H3 | 180.0° | 179.9° |
C3 | C4 | C5 | H11 | 179.3° | 179.9° |
C5 | C4 | C3 | H2 | 179.1° | 180.0° |
C4 | C5 | C6 | H12 | 179.4° | 180.0° |
H1 | N | C10 | H7 | 35.7° | 120.0° |
H1 | N | C10 | H8 | 154.3° | 120.0° |
H2 | C3 | C4 | H3 | 1.0° | 0.1° |
H3 | C4 | C5 | H11 | 0.7° | 0.0° |
H4 | C | H5 | H6 | 120.0° | 119.9° |
H7 | C10 | C11 | H9 | 170.7° | 179.9° |
H7 | C10 | C11 | H10 | 70.2° | 60.0° |
H8 | C10 | C11 | H9 | 70.8° | 60.1° |
H8 | C10 | C11 | H10 | 48.4° | 180.0° |
H9 | C11 | S | H17 | 59.6° | 60.0° |
H10 | C11 | S | H17 | 59.6° | 59.9° |
H11 | C5 | C6 | H12 | 0.6° | 0.0° |
H12 | C6 | C7 | H13 | 1.6° | 0.3° |
H14 | C8 | H15 | H16 | 120.0° | 120.0° |