9EX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C3 | sing | 1.43Å | 1.40Å | |
S1 | C1 | sing | 1.81Å | 1.84Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C2 | C4 | sing | 1.53Å | 1.54Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O1 | H5 | sing | 0.97Å | 0.95Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C1 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
S1 | H10 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C3 | C2 | 108.5° | 109.5° |
C3 | O1 | H5 | 109.5° | 114.0° |
O1 | C3 | H6 | 109.7° | 109.5° |
O1 | C3 | H7 | 109.7° | 109.5° |
S1 | C1 | C2 | 110.7° | 109.5° |
S1 | C1 | H8 | 109.2° | 109.4° |
S1 | C1 | H9 | 109.1° | 109.5° |
C1 | S1 | H10 | 102.0° | 103.0° |
C1 | C2 | C3 | 110.0° | 109.5° |
C1 | C2 | C4 | 112.2° | 109.5° |
C1 | C2 | H1 | 108.6° | 109.4° |
C2 | C1 | H8 | 109.2° | 109.5° |
C2 | C1 | H9 | 109.2° | 109.5° |
C3 | C2 | C4 | 109.2° | 109.5° |
C3 | C2 | H1 | 108.3° | 109.5° |
C2 | C3 | H6 | 109.7° | 109.5° |
C2 | C3 | H7 | 109.7° | 109.5° |
C4 | C2 | H1 | 108.4° | 109.5° |
C2 | C4 | H2 | 109.5° | 109.5° |
C2 | C4 | H3 | 109.5° | 109.5° |
C2 | C4 | H4 | 109.5° | 109.5° |
H2 | C4 | H3 | 109.5° | 109.5° |
H2 | C4 | H4 | 109.4° | 109.4° |
H3 | C4 | H4 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C3 | C2 | C1 | 69.8° | 175.0° |
O1 | C3 | C2 | H6 | 119.8° | 120.0° |
O1 | C3 | C2 | H7 | 119.9° | 120.0° |
O1 | C3 | C2 | C4 | 166.6° | 65.0° |
O1 | C3 | C2 | H1 | 48.8° | 55.1° |
O1 | C3 | H6 | H7 | 120.5° | 120.0° |
S1 | C1 | C2 | H8 | 120.2° | 120.0° |
S1 | C1 | C2 | H9 | 120.2° | 120.0° |
S1 | C1 | C2 | C3 | 173.8° | 175.0° |
S1 | C1 | C2 | C4 | 64.5° | 65.0° |
S1 | C1 | C2 | H1 | 55.4° | 55.0° |
S1 | C1 | H8 | H9 | 119.4° | 120.0° |
C1 | C2 | C3 | C4 | 123.5° | 120.0° |
C1 | C2 | C3 | H1 | 118.6° | 120.0° |
C1 | C2 | C4 | H1 | 120.0° | 120.0° |
C1 | C2 | C4 | H2 | 180.0° | 60.0° |
C1 | C2 | C4 | H3 | 60.0° | 180.0° |
C1 | C2 | C4 | H4 | 60.0° | 60.0° |
C1 | C2 | C3 | H6 | 50.0° | 65.0° |
C1 | C2 | C3 | H7 | 170.3° | 55.0° |
C2 | C1 | H8 | H9 | 119.4° | 120.0° |
C2 | C1 | S1 | H10 | 180.0° | 180.0° |
C3 | C2 | C4 | H1 | 117.8° | 120.0° |
C3 | C2 | C4 | H2 | 57.7° | 60.0° |
C3 | C2 | C4 | H3 | 177.7° | 60.0° |
C3 | C2 | C4 | H4 | 62.2° | 180.0° |
C2 | C3 | O1 | H5 | 180.0° | 180.0° |
C2 | C3 | H6 | H7 | 120.5° | 120.1° |
C3 | C2 | C1 | H8 | 66.0° | 55.0° |
C3 | C2 | C1 | H9 | 53.6° | 65.0° |
C2 | C4 | H2 | H3 | 120.0° | 120.0° |
C2 | C4 | H2 | H4 | 120.0° | 120.0° |
C2 | C4 | H3 | H4 | 120.0° | 120.1° |
C4 | C2 | C3 | H6 | 73.5° | 55.0° |
C4 | C2 | C3 | H7 | 46.8° | 175.0° |
C4 | C2 | C1 | H8 | 55.7° | 175.1° |
C4 | C2 | C1 | H9 | 175.3° | 55.0° |
H1 | C2 | C4 | H2 | 60.0° | 179.9° |
H1 | C2 | C4 | H3 | 60.0° | 60.1° |
H1 | C2 | C4 | H4 | 180.0° | 60.0° |
H1 | C2 | C3 | H6 | 168.6° | 175.0° |
H1 | C2 | C3 | H7 | 71.1° | 65.0° |
H1 | C2 | C1 | H8 | 175.6° | 65.0° |
H1 | C2 | C1 | H9 | 64.8° | 175.0° |
H2 | C4 | H3 | H4 | 120.0° | 119.9° |
H5 | O1 | C3 | H6 | 60.2° | 60.0° |
H5 | O1 | C3 | H7 | 60.1° | 60.0° |
H8 | C1 | S1 | H10 | 59.8° | 60.0° |
H9 | C1 | S1 | H10 | 59.8° | 60.0° |