6OT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N12 | S09 | sing | 1.66Å | 1.63Å | |
O11 | S09 | doub | 1.42Å | 1.44Å | |
S09 | C05 | sing | 1.76Å | 1.76Å | |
S09 | O10 | doub | 1.42Å | 1.44Å | |
CL7 | C01 | sing | 1.74Å | 1.72Å | |
C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | CL8 | sing | 1.74Å | 1.73Å | |
N12 | H121 | sing | 0.97Å | 1.00Å | |
N12 | H122 | sing | 0.97Å | 1.00Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C04 | H041 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N12 | S09 | O11 | 111.1° | 106.4° |
N12 | S09 | C05 | 109.8° | 107.2° |
N12 | S09 | O10 | 112.7° | 106.4° |
S09 | N12 | H121 | 109.5° | 120.1° |
S09 | N12 | H122 | 109.5° | 120.0° |
O11 | S09 | C05 | 110.5° | 106.4° |
O11 | S09 | O10 | 102.9° | 123.1° |
C05 | S09 | O10 | 109.8° | 106.4° |
S09 | C05 | C06 | 118.3° | 120.0° |
S09 | C05 | C04 | 121.3° | 120.0° |
CL7 | C01 | C06 | 118.5° | 120.0° |
CL7 | C01 | C02 | 120.8° | 120.0° |
C05 | C06 | C01 | 119.6° | 120.0° |
C06 | C05 | C04 | 120.4° | 120.0° |
C05 | C06 | H061 | 120.2° | 120.0° |
C06 | C01 | C02 | 120.7° | 120.0° |
C01 | C06 | H061 | 120.2° | 120.0° |
C05 | C04 | C03 | 119.7° | 120.0° |
C05 | C04 | H041 | 120.1° | 120.0° |
C01 | C02 | C03 | 119.6° | 120.0° |
C01 | C02 | H021 | 120.2° | 120.0° |
C04 | C03 | C02 | 119.9° | 120.0° |
C04 | C03 | CL8 | 120.3° | 120.0° |
C03 | C04 | H041 | 120.1° | 120.0° |
C02 | C03 | CL8 | 119.8° | 120.0° |
C03 | C02 | H021 | 120.2° | 120.0° |
H121 | N12 | H122 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N12 | S09 | O11 | C05 | 122.1° | 114.1° |
N12 | S09 | O11 | O10 | 120.8° | 123.0° |
N12 | S09 | C05 | O10 | 124.4° | 113.5° |
N12 | S09 | C05 | C06 | 97.8° | 90.0° |
N12 | S09 | C05 | C04 | 82.3° | 90.0° |
S09 | N12 | H121 | H122 | 120.0° | 179.7° |
O11 | S09 | C05 | O10 | 112.8° | 132.9° |
O11 | S09 | C05 | C06 | 25.0° | 23.6° |
O11 | S09 | C05 | C04 | 154.9° | 156.5° |
O11 | S09 | N12 | H121 | 180.0° | 113.5° |
O11 | S09 | N12 | H122 | 60.0° | 66.2° |
S09 | C05 | C06 | C04 | 179.9° | 179.9° |
S09 | C05 | C06 | C01 | 179.6° | 180.0° |
S09 | C05 | C04 | C03 | 179.7° | 180.0° |
C05 | S09 | N12 | H121 | 57.5° | 0.0° |
C05 | S09 | N12 | H122 | 62.5° | 179.7° |
S09 | C05 | C04 | H041 | 0.3° | 0.0° |
S09 | C05 | C06 | H061 | 0.4° | 0.1° |
O10 | S09 | C05 | C06 | 137.8° | 156.5° |
O10 | S09 | C05 | C04 | 42.1° | 23.6° |
O10 | S09 | N12 | H121 | 65.2° | 113.6° |
O10 | S09 | N12 | H122 | 174.8° | 66.7° |
CL7 | C01 | C06 | C05 | 179.9° | 179.8° |
CL7 | C01 | C06 | C02 | 179.6° | 179.7° |
CL7 | C01 | C02 | C03 | 180.0° | 179.7° |
CL7 | C01 | C02 | H021 | 0.0° | 0.3° |
CL7 | C01 | C06 | H061 | 0.1° | 0.3° |
C05 | C06 | C01 | H061 | 180.0° | 179.9° |
C05 | C06 | C01 | C02 | 0.3° | 0.1° |
C06 | C05 | C04 | C03 | 0.2° | 0.0° |
C06 | C05 | C04 | H041 | 179.8° | 179.9° |
C01 | C06 | C05 | C04 | 0.2° | 0.1° |
C06 | C01 | C02 | C03 | 0.3° | 0.0° |
C06 | C01 | C02 | H021 | 179.6° | 180.0° |
C05 | C04 | C03 | H041 | 180.0° | 180.0° |
C05 | C04 | C03 | C02 | 0.2° | 0.0° |
C05 | C04 | C03 | CL8 | 180.0° | 180.0° |
C04 | C05 | C06 | H061 | 179.8° | 180.0° |
C01 | C02 | C03 | C04 | 0.3° | 0.0° |
C01 | C02 | C03 | H021 | 180.0° | 179.9° |
C01 | C02 | C03 | CL8 | 179.9° | 180.0° |
C02 | C01 | C06 | H061 | 179.7° | 180.0° |
C04 | C03 | C02 | CL8 | 179.8° | 180.0° |
C04 | C03 | C02 | H021 | 179.7° | 179.9° |
C02 | C03 | C04 | H041 | 179.8° | 180.0° |
CL8 | C03 | C02 | H021 | 0.1° | 0.0° |
CL8 | C03 | C04 | H041 | 0.0° | 0.1° |