T1Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | F | sing | 1.35Å | 1.35Å | |
C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C | sing | 1.39Å | 1.38Å | Aromatic |
S | C4 | sing | 1.76Å | 1.77Å | |
S | O | doub | 1.42Å | 1.43Å | |
S | O1 | doub | 1.42Å | 1.43Å | |
N | S | sing | 1.66Å | 1.64Å | |
C6 | N | sing | 1.47Å | 1.47Å | |
C7 | C6 | sing | 1.53Å | 1.51Å | |
N1 | C7 | sing | 1.47Å | 1.46Å | |
N1 | C8 | sing | 1.47Å | 1.46Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C9 | N | sing | 1.47Å | 1.47Å | |
C10 | N1 | sing | 1.35Å | 1.35Å | |
C10 | O2 | doub | 1.21Å | 1.22Å | |
C11 | C10 | sing | 1.51Å | 1.51Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H | sing | 1.08Å | 1.08Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F | C | C1 | 118.5° | 120.0° |
F | C | C5 | 117.9° | 120.0° |
C | C1 | C2 | 117.8° | 120.0° |
C1 | C | C5 | 123.6° | 119.9° |
C | C1 | H | 121.1° | 120.0° |
C1 | C2 | C3 | 120.5° | 120.0° |
C2 | C1 | H | 121.1° | 120.0° |
C1 | C2 | H1 | 119.7° | 120.0° |
C2 | C3 | C4 | 119.9° | 120.0° |
C3 | C2 | H1 | 119.7° | 120.0° |
C2 | C3 | H2 | 120.1° | 120.0° |
C3 | C4 | C5 | 120.5° | 120.1° |
C3 | C4 | S | 119.8° | 120.0° |
C4 | C3 | H2 | 120.0° | 120.0° |
C4 | C5 | C | 117.6° | 119.9° |
C5 | C4 | S | 119.7° | 120.0° |
C4 | C5 | H3 | 121.2° | 120.1° |
C | C5 | H3 | 121.2° | 120.0° |
C4 | S | O | 107.7° | 106.4° |
C4 | S | O1 | 108.1° | 106.4° |
C4 | S | N | 107.5° | 107.2° |
O | S | O1 | 119.8° | 123.2° |
O | S | N | 106.4° | 106.4° |
O1 | S | N | 106.7° | 106.4° |
S | N | C6 | 117.0° | 120.6° |
S | N | C9 | 116.7° | 120.6° |
N | C6 | C7 | 109.4° | 108.7° |
C6 | N | C9 | 112.0° | 118.8° |
N | C6 | H5 | 109.5° | 109.6° |
N | C6 | H4 | 109.5° | 109.6° |
C6 | C7 | N1 | 110.4° | 108.7° |
C7 | C6 | H5 | 109.5° | 109.6° |
C7 | C6 | H4 | 109.5° | 109.8° |
C6 | C7 | H7 | 109.3° | 109.6° |
C6 | C7 | H6 | 109.2° | 109.6° |
C7 | N1 | C8 | 111.7° | 118.8° |
C7 | N1 | C10 | 124.6° | 120.6° |
N1 | C7 | H7 | 109.2° | 109.6° |
N1 | C7 | H6 | 109.3° | 109.6° |
N1 | C8 | C9 | 109.9° | 108.7° |
C8 | N1 | C10 | 123.7° | 120.6° |
N1 | C8 | H9 | 109.4° | 109.6° |
N1 | C8 | H8 | 109.4° | 109.6° |
C8 | C9 | N | 108.8° | 108.7° |
C9 | C8 | H9 | 109.4° | 109.6° |
C9 | C8 | H8 | 109.4° | 109.6° |
C8 | C9 | H11 | 109.6° | 109.6° |
C8 | C9 | H10 | 109.6° | 109.6° |
N | C9 | H11 | 109.6° | 109.7° |
N | C9 | H10 | 109.7° | 109.6° |
N1 | C10 | O2 | 122.6° | 120.0° |
N1 | C10 | C11 | 117.3° | 120.0° |
O2 | C10 | C11 | 120.0° | 120.0° |
C10 | C11 | H14 | 109.5° | 109.5° |
C10 | C11 | H13 | 109.4° | 109.5° |
C10 | C11 | H12 | 109.5° | 109.5° |
H5 | C6 | H4 | 109.5° | 109.6° |
H7 | C7 | H6 | 109.4° | 109.7° |
H9 | C8 | H8 | 109.5° | 109.7° |
H14 | C11 | H13 | 109.4° | 109.5° |
H14 | C11 | H12 | 109.5° | 109.5° |
H13 | C11 | H12 | 109.5° | 109.4° |
H11 | C9 | H10 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F | C | C1 | C5 | 179.6° | 180.0° |
F | C | C1 | C2 | 180.0° | 180.0° |
F | C | C5 | C4 | 179.8° | 180.0° |
F | C | C5 | H3 | 0.1° | 0.0° |
F | C | C1 | H | 0.0° | 0.0° |
C | C1 | C2 | H | 180.0° | 180.0° |
C | C1 | C2 | C3 | 0.4° | 0.1° |
C1 | C | C5 | C4 | 0.2° | 0.0° |
C1 | C | C5 | H3 | 179.7° | 180.0° |
C | C1 | C2 | H1 | 179.7° | 180.0° |
C1 | C2 | C3 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.2° | 0.0° |
C2 | C1 | C | C5 | 0.4° | 0.1° |
C1 | C2 | C3 | H2 | 179.9° | 179.9° |
C2 | C3 | C4 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.0° | 0.0° |
C2 | C3 | C4 | S | 179.9° | 179.8° |
C3 | C2 | C1 | H | 179.6° | 180.0° |
C3 | C4 | C5 | S | 179.9° | 179.8° |
C3 | C4 | C5 | C | 0.0° | 0.0° |
C3 | C4 | S | O | 8.0° | 156.5° |
C3 | C4 | S | O1 | 138.8° | 23.5° |
C3 | C4 | S | N | 106.3° | 90.0° |
C3 | C4 | C5 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | H1 | 179.9° | 180.0° |
C4 | C5 | C | H3 | 180.0° | 179.9° |
C5 | C4 | S | O | 171.9° | 23.8° |
C5 | C4 | S | O1 | 41.1° | 156.8° |
C5 | C4 | S | N | 73.8° | 89.7° |
C5 | C4 | C3 | H2 | 180.0° | 180.0° |
C | C5 | C4 | S | 179.9° | 179.8° |
C5 | C | C1 | H | 179.6° | 180.0° |
C4 | S | O | O1 | 123.9° | 123.1° |
C4 | S | O | N | 115.1° | 114.1° |
C4 | S | O1 | N | 115.4° | 114.1° |
C4 | S | N | C6 | 79.6° | 90.0° |
C4 | S | N | C9 | 57.0° | 90.0° |
S | C4 | C5 | H3 | 0.1° | 0.3° |
S | C4 | C3 | H2 | 0.1° | 0.2° |
O | S | O1 | N | 120.8° | 122.9° |
O | S | N | C6 | 165.2° | 23.5° |
O | S | N | C9 | 58.3° | 156.4° |
O1 | S | N | C6 | 36.1° | 156.4° |
O1 | S | N | C9 | 172.7° | 23.5° |
S | N | C6 | C9 | 138.5° | 180.0° |
S | N | C6 | C7 | 163.8° | 124.7° |
S | N | C9 | C8 | 162.5° | 124.7° |
S | N | C6 | H5 | 76.2° | 5.0° |
S | N | C6 | H4 | 43.8° | 115.3° |
S | N | C9 | H11 | 77.6° | 115.4° |
S | N | C9 | H10 | 42.6° | 5.0° |
N | C6 | C7 | H5 | 120.0° | 119.7° |
N | C6 | C7 | H4 | 120.0° | 119.8° |
N | C6 | C7 | N1 | 55.6° | 49.5° |
C6 | N | C9 | C8 | 58.8° | 55.2° |
N | C6 | H5 | H4 | 120.0° | 120.3° |
N | C6 | C7 | H7 | 175.8° | 70.3° |
N | C6 | C7 | H6 | 64.5° | 169.2° |
C6 | N | C9 | H11 | 61.0° | 64.6° |
C6 | N | C9 | H10 | 178.8° | 175.0° |
C6 | C7 | N1 | H7 | 120.2° | 119.8° |
C6 | C7 | N1 | H6 | 120.1° | 119.7° |
C6 | C7 | N1 | C8 | 57.4° | 55.2° |
C7 | C6 | N | C9 | 57.7° | 55.2° |
C6 | C7 | N1 | C10 | 122.8° | 124.5° |
C7 | C6 | H5 | H4 | 120.0° | 120.5° |
C6 | C7 | H7 | H6 | 119.6° | 120.4° |
C7 | N1 | C8 | C10 | 179.8° | 179.7° |
C7 | N1 | C8 | C9 | 58.6° | 55.2° |
C7 | N1 | C10 | O2 | 168.0° | 5.6° |
C7 | N1 | C10 | C11 | 12.8° | 174.4° |
N1 | C7 | C6 | H5 | 64.4° | 169.2° |
N1 | C7 | C6 | H4 | 175.6° | 70.4° |
N1 | C7 | H7 | H6 | 119.6° | 120.4° |
C7 | N1 | C8 | H9 | 178.7° | 175.0° |
C7 | N1 | C8 | H8 | 61.4° | 64.6° |
N1 | C8 | C9 | H9 | 120.1° | 119.7° |
N1 | C8 | C9 | H8 | 120.0° | 119.8° |
N1 | C8 | C9 | N | 58.0° | 49.5° |
C8 | N1 | C10 | O2 | 12.2° | 174.1° |
C8 | N1 | C10 | C11 | 167.0° | 5.9° |
C8 | N1 | C7 | H7 | 177.6° | 64.6° |
C8 | N1 | C7 | H6 | 62.7° | 175.0° |
N1 | C8 | H9 | H8 | 119.8° | 120.4° |
N1 | C8 | C9 | H11 | 61.9° | 70.4° |
N1 | C8 | C9 | H10 | 177.9° | 169.2° |
C8 | C9 | N | H11 | 119.9° | 119.8° |
C8 | C9 | N | H10 | 119.9° | 119.7° |
C9 | C8 | N1 | C10 | 121.6° | 124.5° |
C9 | C8 | H9 | H8 | 119.8° | 120.4° |
C8 | C9 | H11 | H10 | 120.3° | 120.4° |
C9 | N | C6 | H5 | 62.3° | 175.0° |
C9 | N | C6 | H4 | 177.7° | 64.7° |
N | C9 | C8 | H9 | 178.1° | 169.2° |
N | C9 | C8 | H8 | 62.0° | 70.3° |
N | C9 | H11 | H10 | 120.3° | 120.4° |
N1 | C10 | O2 | C11 | 179.1° | 180.0° |
C10 | N1 | C7 | H7 | 2.6° | 115.7° |
C10 | N1 | C7 | H6 | 117.1° | 4.7° |
C10 | N1 | C8 | H9 | 1.5° | 4.7° |
C10 | N1 | C8 | H8 | 118.4° | 115.8° |
N1 | C10 | C11 | H14 | 179.2° | 4.9° |
N1 | C10 | C11 | H13 | 60.8° | 124.9° |
N1 | C10 | C11 | H12 | 59.2° | 115.1° |
O2 | C10 | C11 | H14 | 0.0° | 175.1° |
O2 | C10 | C11 | H13 | 120.0° | 55.1° |
O2 | C10 | C11 | H12 | 120.0° | 64.9° |
C10 | C11 | H14 | H13 | 120.0° | 120.0° |
C10 | C11 | H14 | H12 | 120.0° | 120.0° |
C10 | C11 | H13 | H12 | 120.0° | 120.0° |
H5 | C6 | C7 | H7 | 55.8° | 49.4° |
H5 | C6 | C7 | H6 | 175.4° | 71.1° |
H4 | C6 | C7 | H7 | 64.2° | 169.9° |
H4 | C6 | C7 | H6 | 55.5° | 49.4° |
H9 | C8 | C9 | H11 | 58.2° | 49.4° |
H9 | C8 | C9 | H10 | 62.0° | 71.1° |
H8 | C8 | C9 | H11 | 178.1° | 169.8° |
H8 | C8 | C9 | H10 | 57.9° | 49.4° |
H | C1 | C2 | H1 | 0.3° | 0.0° |
H14 | C11 | H13 | H12 | 120.0° | 120.0° |
H1 | C2 | C3 | H2 | 0.1° | 0.0° |