S3C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O8 | C6 | doub | 1.22Å | 1.24Å | |
S9 | C5 | sing | 1.76Å | 1.68Å | |
C6 | C5 | sing | 1.47Å | 1.51Å | |
C6 | O7 | sing | 1.35Å | 1.28Å | |
C5 | C4 | doub | 1.36Å | 1.52Å | |
CL2 | C10 | sing | 1.74Å | 1.74Å | |
C4 | C3 | sing | 1.47Å | 1.51Å | |
C10 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
CL3 | C12 | sing | 1.74Å | 1.74Å | |
C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | CL1 | sing | 1.74Å | 1.73Å | |
C2 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
O7 | H4 | sing | 0.97Å | 0.95Å | |
C14 | H5 | sing | 1.08Å | 1.08Å | |
S9 | H3 | sing | 1.35Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O8 | C6 | C5 | 116.9° | 120.0° |
O8 | C6 | O7 | 121.0° | 120.0° |
S9 | C5 | C6 | 122.8° | 120.0° |
S9 | C5 | C4 | 122.2° | 120.0° |
C5 | S9 | H3 | 102.0° | 103.0° |
C5 | C6 | O7 | 122.1° | 120.0° |
C6 | C5 | C4 | 114.9° | 120.0° |
C6 | O7 | H4 | 109.5° | 117.0° |
C5 | C4 | C3 | 117.8° | 120.0° |
C5 | C4 | H2 | 121.1° | 120.0° |
CL2 | C10 | C3 | 121.2° | 120.1° |
CL2 | C10 | C12 | 119.9° | 120.1° |
C4 | C3 | C10 | 118.9° | 120.2° |
C4 | C3 | C2 | 121.5° | 120.1° |
C3 | C4 | H2 | 121.1° | 120.0° |
C3 | C10 | C12 | 118.9° | 119.8° |
C10 | C3 | C2 | 119.6° | 119.7° |
C10 | C12 | CL3 | 119.3° | 119.9° |
C10 | C12 | C14 | 120.7° | 120.2° |
CL3 | C12 | C14 | 120.0° | 119.9° |
C3 | C2 | CL1 | 118.7° | 120.1° |
C3 | C2 | C15 | 120.9° | 119.8° |
C12 | C14 | C15 | 120.8° | 120.4° |
C12 | C14 | H5 | 119.6° | 119.8° |
CL1 | C2 | C15 | 120.3° | 120.1° |
C2 | C15 | C14 | 119.0° | 120.2° |
C2 | C15 | H1 | 120.5° | 119.9° |
C14 | C15 | H1 | 120.5° | 119.9° |
C15 | C14 | H5 | 119.6° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O8 | C6 | C5 | S9 | 2.5° | 180.0° |
O8 | C6 | C5 | O7 | 179.1° | 179.9° |
O8 | C6 | C5 | C4 | 173.1° | 0.0° |
O8 | C6 | O7 | H4 | 0.0° | 0.0° |
S9 | C5 | C6 | C4 | 175.5° | 180.0° |
S9 | C5 | C6 | O7 | 176.6° | 0.0° |
S9 | C5 | C4 | C3 | 9.4° | 6.3° |
S9 | C5 | C4 | H2 | 170.6° | 173.8° |
C6 | C5 | C4 | C3 | 175.1° | 173.7° |
C6 | C5 | C4 | H2 | 5.0° | 6.2° |
C5 | C6 | O7 | H4 | 179.0° | 180.0° |
C6 | C5 | S9 | H3 | 1.2° | 0.0° |
O7 | C6 | C5 | C4 | 7.9° | 180.0° |
C5 | C4 | C3 | H2 | 180.0° | 179.9° |
C5 | C4 | C3 | C10 | 74.1° | 60.2° |
C5 | C4 | C3 | C2 | 107.9° | 119.7° |
C4 | C5 | S9 | H3 | 174.1° | 180.0° |
CL2 | C10 | C3 | C4 | 1.1° | 0.3° |
CL2 | C10 | C3 | C12 | 179.9° | 179.7° |
CL2 | C10 | C12 | CL3 | 1.8° | 0.3° |
CL2 | C10 | C3 | C2 | 176.9° | 179.7° |
CL2 | C10 | C12 | C14 | 177.7° | 179.7° |
C4 | C3 | C10 | C2 | 178.1° | 180.0° |
C4 | C3 | C10 | C12 | 178.8° | 180.0° |
C4 | C3 | C2 | CL1 | 0.8° | 0.1° |
C4 | C3 | C2 | C15 | 179.2° | 180.0° |
C3 | C10 | C12 | CL3 | 178.1° | 180.0° |
C3 | C10 | C12 | C14 | 2.4° | 0.1° |
C10 | C3 | C2 | CL1 | 177.2° | 180.0° |
C10 | C3 | C2 | C15 | 2.8° | 0.0° |
C10 | C3 | C4 | H2 | 105.9° | 119.7° |
C10 | C12 | CL3 | C14 | 179.6° | 180.0° |
C12 | C10 | C3 | C2 | 3.2° | 0.1° |
C10 | C12 | C14 | C15 | 1.1° | 0.0° |
C10 | C12 | C14 | H5 | 178.9° | 180.0° |
CL3 | C12 | C14 | C15 | 179.4° | 180.0° |
CL3 | C12 | C14 | H5 | 0.6° | 0.0° |
C3 | C2 | CL1 | C15 | 180.0° | 180.0° |
C3 | C2 | C15 | C14 | 1.5° | 0.0° |
C3 | C2 | C15 | H1 | 178.5° | 180.0° |
C2 | C3 | C4 | H2 | 72.2° | 60.4° |
C12 | C14 | C15 | C2 | 0.6° | 0.0° |
C12 | C14 | C15 | H5 | 180.0° | 180.0° |
C12 | C14 | C15 | H1 | 179.4° | 180.0° |
CL1 | C2 | C15 | C14 | 178.5° | 179.9° |
CL1 | C2 | C15 | H1 | 1.5° | 0.0° |
C2 | C15 | C14 | H1 | 180.0° | 179.9° |
C2 | C15 | C14 | H5 | 179.4° | 180.0° |
H1 | C15 | C14 | H5 | 0.6° | 0.0° |