S5Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | O1 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C | C1 | sing | 1.53Å | 1.52Å | |
O1 | C3 | sing | 1.43Å | 1.41Å | |
C5 | S | sing | 1.81Å | 1.81Å | |
C1 | O | sing | 1.43Å | 1.42Å | |
O | C2 | sing | 1.43Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
S | H11 | sing | 1.34Å | 1.30Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C | H13 | sing | 1.09Å | 1.10Å | |
C | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C4 | C5 | 111.2° | 109.5° |
C4 | O1 | C3 | 114.9° | 113.9° |
O1 | C4 | H7 | 109.0° | 109.5° |
O1 | C4 | H8 | 109.0° | 109.5° |
C4 | C5 | S | 107.9° | 109.5° |
C5 | C4 | H7 | 109.0° | 109.5° |
C5 | C4 | H8 | 109.0° | 109.5° |
C4 | C5 | H9 | 109.9° | 109.5° |
C4 | C5 | H10 | 109.9° | 109.5° |
C | C1 | O | 105.0° | 109.5° |
C | C1 | H1 | 110.6° | 109.4° |
C | C1 | H2 | 110.6° | 109.5° |
C1 | C | H12 | 109.5° | 109.4° |
C1 | C | H13 | 109.5° | 109.5° |
C1 | C | H14 | 109.5° | 109.5° |
O1 | C3 | C2 | 102.6° | 109.4° |
O1 | C3 | H5 | 111.1° | 109.5° |
O1 | C3 | H6 | 111.2° | 109.5° |
S | C5 | H9 | 109.9° | 109.5° |
S | C5 | H10 | 109.8° | 109.5° |
C5 | S | H11 | 102.0° | 103.0° |
C1 | O | C2 | 115.9° | 114.0° |
O | C1 | H1 | 110.6° | 109.5° |
O | C1 | H2 | 110.6° | 109.5° |
O | C2 | C3 | 103.1° | 109.4° |
O | C2 | H3 | 111.1° | 109.5° |
O | C2 | H4 | 111.1° | 109.5° |
C3 | C2 | H3 | 111.0° | 109.4° |
C3 | C2 | H4 | 111.0° | 109.4° |
C2 | C3 | H5 | 111.2° | 109.5° |
C2 | C3 | H6 | 111.2° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H3 | C2 | H4 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
H7 | C4 | H8 | 109.5° | 109.5° |
H9 | C5 | H10 | 109.5° | 109.5° |
H12 | C | H13 | 109.5° | 109.5° |
H12 | C | H14 | 109.4° | 109.5° |
H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C4 | C5 | H7 | 120.3° | 120.0° |
O1 | C4 | C5 | H8 | 120.2° | 120.0° |
O1 | C4 | C5 | S | 91.2° | 180.0° |
C4 | O1 | C3 | C2 | 168.1° | 180.0° |
C4 | O1 | C3 | H5 | 73.0° | 60.0° |
C4 | O1 | C3 | H6 | 49.2° | 60.0° |
O1 | C4 | H7 | H8 | 119.2° | 120.0° |
O1 | C4 | C5 | H9 | 149.1° | 60.0° |
O1 | C4 | C5 | H10 | 28.6° | 60.0° |
C5 | C4 | O1 | C3 | 68.5° | 180.0° |
C4 | C5 | S | H9 | 119.8° | 120.0° |
C4 | C5 | S | H10 | 119.8° | 120.0° |
C5 | C4 | H7 | H8 | 119.2° | 120.0° |
C4 | C5 | H9 | H10 | 120.7° | 120.0° |
C4 | C5 | S | H11 | 180.0° | 180.0° |
C | C1 | O | H1 | 119.3° | 120.0° |
C | C1 | O | H2 | 119.3° | 120.0° |
C | C1 | O | C2 | 177.2° | 180.0° |
C | C1 | H1 | H2 | 122.1° | 120.0° |
C1 | C | H12 | H13 | 120.0° | 120.0° |
C1 | C | H12 | H14 | 120.0° | 120.0° |
C1 | C | H13 | H14 | 120.0° | 120.0° |
O1 | C3 | C2 | O | 19.7° | 65.0° |
O1 | C3 | C2 | H5 | 118.9° | 120.0° |
O1 | C3 | C2 | H6 | 118.9° | 120.0° |
O1 | C3 | C2 | H3 | 138.6° | 175.0° |
O1 | C3 | C2 | H4 | 99.3° | 55.0° |
O1 | C3 | H5 | H6 | 123.2° | 120.0° |
C3 | O1 | C4 | H7 | 51.8° | 60.0° |
C3 | O1 | C4 | H8 | 171.3° | 60.0° |
S | C5 | C4 | H7 | 29.1° | 60.0° |
S | C5 | C4 | H8 | 148.6° | 60.0° |
S | C5 | H9 | H10 | 120.7° | 120.0° |
C1 | O | C2 | C3 | 159.1° | 180.0° |
O | C1 | H1 | H2 | 122.1° | 120.0° |
C1 | O | C2 | H3 | 81.9° | 60.0° |
C1 | O | C2 | H4 | 40.1° | 60.1° |
O | C1 | C | H12 | 180.0° | 60.0° |
O | C1 | C | H13 | 60.0° | 60.0° |
O | C1 | C | H14 | 60.0° | 180.0° |
O | C2 | C3 | H3 | 119.0° | 120.0° |
O | C2 | C3 | H4 | 119.0° | 120.0° |
C2 | O | C1 | H1 | 63.6° | 60.0° |
C2 | O | C1 | H2 | 57.9° | 60.0° |
O | C2 | H3 | H4 | 123.0° | 120.1° |
O | C2 | C3 | H5 | 138.5° | 175.0° |
O | C2 | C3 | H6 | 99.3° | 55.0° |
C3 | C2 | H3 | H4 | 122.9° | 120.0° |
C2 | C3 | H5 | H6 | 123.2° | 120.0° |
H1 | C1 | C | H12 | 60.7° | 180.0° |
H1 | C1 | C | H13 | 59.3° | 60.0° |
H1 | C1 | C | H14 | 179.3° | 60.0° |
H2 | C1 | C | H12 | 60.7° | 60.0° |
H2 | C1 | C | H13 | 179.3° | 180.0° |
H2 | C1 | C | H14 | 59.3° | 60.0° |
H3 | C2 | C3 | H5 | 102.5° | 55.0° |
H3 | C2 | C3 | H6 | 19.7° | 65.0° |
H4 | C2 | C3 | H5 | 19.5° | 65.0° |
H4 | C2 | C3 | H6 | 141.7° | 175.0° |
H7 | C4 | C5 | H9 | 90.7° | 60.0° |
H7 | C4 | C5 | H10 | 148.8° | NaN° |
H8 | C4 | C5 | H9 | 28.8° | 180.0° |
H8 | C4 | C5 | H10 | 91.7° | 60.0° |
H9 | C5 | S | H11 | 60.2° | 60.0° |
H10 | C5 | S | H11 | 60.2° | 60.0° |
H12 | C | H13 | H14 | 120.0° | 120.0° |