M1M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S03 | C02 | sing | 1.81Å | 1.78Å | |
C02 | S01 | sing | 1.81Å | 1.77Å | |
C02 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
S01 | S11 | sing | 2.05Å | 57.49Å | |
S11 | O12 | doub | 1.42Å | 0.00Å | |
S11 | O11 | doub | 1.42Å | 0.00Å | |
S11 | C13 | sing | 1.81Å | 0.00Å | |
S03 | S31 | sing | 2.05Å | 56.95Å | |
S31 | O31 | doub | 1.42Å | 0.00Å | |
S31 | O32 | doub | 1.42Å | 0.00Å | |
S31 | C33 | sing | 1.81Å | 0.00Å | |
C13 | H1 | sing | 1.09Å | 0.00Å | |
C13 | H4 | sing | 1.09Å | 0.00Å | |
C13 | H5 | sing | 1.09Å | 0.00Å | |
C33 | H6 | sing | 1.09Å | 0.00Å | |
C33 | H7 | sing | 1.09Å | 0.00Å | |
C33 | H8 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S03 | C02 | S01 | 110.2° | 109.5° |
S03 | C02 | H2 | 109.3° | 109.5° |
S03 | C02 | H3 | 109.3° | 109.5° |
C02 | S03 | S31 | 114.8° | 103.0° |
S01 | C02 | H2 | 109.3° | 109.4° |
S01 | C02 | H3 | 109.3° | 109.5° |
C02 | S01 | S11 | 96.6° | 103.0° |
H2 | C02 | H3 | 109.5° | 109.5° |
S01 | S11 | O12 | 90.0° | 104.3° |
S01 | S11 | O11 | 90.0° | 104.3° |
S01 | S11 | C13 | 90.0° | 104.5° |
O12 | S11 | O11 | 90.0° | 121.0° |
O12 | S11 | C13 | 90.0° | 110.5° |
O11 | S11 | C13 | 90.0° | 110.5° |
S11 | C13 | H1 | 90.0° | 109.4° |
S11 | C13 | H4 | 90.0° | 109.5° |
S11 | C13 | H5 | 90.0° | 109.4° |
S03 | S31 | O31 | 90.0° | 104.2° |
S03 | S31 | O32 | 90.0° | 104.3° |
S03 | S31 | C33 | 90.0° | 104.5° |
O31 | S31 | O32 | 90.0° | 121.0° |
O31 | S31 | C33 | 90.0° | 110.5° |
O32 | S31 | C33 | 90.0° | 110.6° |
S31 | C33 | H6 | 90.0° | 109.4° |
S31 | C33 | H7 | 90.0° | 109.4° |
S31 | C33 | H8 | 90.0° | 109.4° |
H1 | C13 | H4 | 90.0° | 109.5° |
H1 | C13 | H5 | 90.0° | 109.5° |
H4 | C13 | H5 | 90.0° | 109.5° |
H6 | C33 | H7 | 90.0° | 109.5° |
H6 | C33 | H8 | 90.0° | 109.5° |
H7 | C33 | H8 | 90.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S03 | C02 | S01 | H2 | 120.1° | 120.0° |
S03 | C02 | S01 | H3 | 120.1° | 120.0° |
S03 | C02 | H2 | H3 | 119.7° | 120.0° |
S03 | C02 | S01 | S11 | 57.8° | 75.0° |
C02 | S03 | S31 | O31 | 90.0° | 169.0° |
C02 | S03 | S31 | O32 | 90.0° | 41.1° |
C02 | S03 | S31 | C33 | 90.0° | 75.0° |
S01 | C02 | H2 | H3 | 119.6° | 120.0° |
C02 | S01 | S11 | O12 | 90.0° | 168.9° |
C02 | S01 | S11 | O11 | 90.0° | 41.1° |
C02 | S01 | S11 | C13 | 90.0° | 75.0° |
S01 | C02 | S03 | S31 | 69.1° | 75.0° |
H2 | C02 | S01 | S11 | 62.3° | 165.0° |
H2 | C02 | S03 | S31 | 51.0° | 45.0° |
H3 | C02 | S01 | S11 | 177.9° | 45.0° |
H3 | C02 | S03 | S31 | 170.8° | 165.0° |
S01 | S11 | O12 | O11 | 90.0° | 116.8° |
S01 | S11 | O12 | C13 | 90.0° | 111.7° |
S01 | S11 | O11 | C13 | 90.0° | 111.7° |
S01 | S11 | C13 | H1 | 90.0° | 60.0° |
S01 | S11 | C13 | H4 | 90.0° | 180.0° |
S01 | S11 | C13 | H5 | 90.0° | 60.0° |
O12 | S11 | O11 | C13 | 90.0° | 131.5° |
O12 | S11 | C13 | H1 | 90.0° | 51.6° |
O12 | S11 | C13 | H4 | 90.0° | 68.4° |
O12 | S11 | C13 | H5 | 90.0° | 171.6° |
O11 | S11 | C13 | H1 | 90.0° | 171.6° |
O11 | S11 | C13 | H4 | 90.0° | 68.4° |
O11 | S11 | C13 | H5 | 90.0° | 51.6° |
S11 | C13 | H1 | H4 | 90.0° | 120.0° |
S11 | C13 | H1 | H5 | 90.0° | 120.0° |
S11 | C13 | H4 | H5 | 90.0° | 120.0° |
S03 | S31 | O31 | O32 | 90.0° | 116.7° |
S03 | S31 | O31 | C33 | 90.0° | 111.7° |
S03 | S31 | O32 | C33 | 90.0° | 111.8° |
S03 | S31 | C33 | H6 | 90.0° | 60.0° |
S03 | S31 | C33 | H7 | 90.0° | 180.0° |
S03 | S31 | C33 | H8 | 90.0° | 60.0° |
O31 | S31 | O32 | C33 | 90.0° | 131.5° |
O31 | S31 | C33 | H6 | 90.0° | 51.6° |
O31 | S31 | C33 | H7 | 90.0° | 68.4° |
O31 | S31 | C33 | H8 | 90.0° | 171.6° |
O32 | S31 | C33 | H6 | 90.0° | 171.6° |
O32 | S31 | C33 | H7 | 90.0° | 68.4° |
O32 | S31 | C33 | H8 | 90.0° | 51.6° |
S31 | C33 | H6 | H7 | 90.0° | 120.0° |
S31 | C33 | H6 | H8 | 90.0° | 120.0° |
S31 | C33 | H7 | H8 | 90.0° | 120.0° |
H1 | C13 | H4 | H5 | 90.0° | 120.0° |
H6 | C33 | H7 | H8 | 90.0° | 120.1° |