ND8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | C09 | doub | 1.22Å | 1.39Å | |
O11 | C09 | sing | 1.35Å | 1.22Å | |
C09 | C08 | sing | 1.47Å | 1.49Å | |
S12 | C08 | sing | 1.76Å | 1.73Å | Aromatic |
S12 | C04 | sing | 1.76Å | 1.69Å | Aromatic |
C08 | C07 | doub | 1.34Å | 1.37Å | Aromatic |
C04 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
C07 | C05 | sing | 1.40Å | 1.49Å | Aromatic |
C03 | C02 | sing | 1.37Å | 1.41Å | Aromatic |
C05 | C06 | doub | 1.42Å | 1.42Å | Aromatic |
C02 | C01 | doub | 1.39Å | 1.35Å | Aromatic |
C06 | C01 | sing | 1.36Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
O11 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C09 | O11 | 122.4° | 120.0° |
O10 | C09 | C08 | 112.7° | 120.0° |
O11 | C09 | C08 | 124.8° | 120.0° |
C09 | O11 | H6 | 109.5° | 117.0° |
C09 | C08 | S12 | 119.8° | 124.7° |
C09 | C08 | C07 | 127.2° | 124.7° |
C08 | S12 | C04 | 93.4° | 91.6° |
S12 | C08 | C07 | 112.9° | 110.7° |
S12 | C04 | C03 | 126.5° | 130.5° |
S12 | C04 | C05 | 111.0° | 109.6° |
C08 | C07 | C05 | 108.9° | 115.6° |
C08 | C07 | H5 | 125.6° | 122.3° |
C03 | C04 | C05 | 122.5° | 119.9° |
C04 | C03 | C02 | 119.5° | 120.2° |
C04 | C03 | H3 | 120.2° | 119.9° |
C04 | C05 | C07 | 113.8° | 112.6° |
C04 | C05 | C06 | 117.7° | 118.5° |
C07 | C05 | C06 | 128.4° | 128.9° |
C05 | C07 | H5 | 125.6° | 122.1° |
C03 | C02 | C01 | 118.8° | 120.2° |
C03 | C02 | H2 | 120.6° | 119.9° |
C02 | C03 | H3 | 120.2° | 119.9° |
C05 | C06 | C01 | 118.7° | 120.5° |
C05 | C06 | H4 | 120.6° | 119.8° |
C02 | C01 | C06 | 122.4° | 120.7° |
C02 | C01 | H1 | 118.8° | 119.7° |
C01 | C02 | H2 | 120.6° | 119.9° |
C06 | C01 | H1 | 118.8° | 119.7° |
C01 | C06 | H4 | 120.6° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C09 | O11 | C08 | 176.2° | 179.9° |
O10 | C09 | C08 | S12 | 20.2° | 180.0° |
O10 | C09 | C08 | C07 | 163.0° | 0.0° |
O10 | C09 | O11 | H6 | 0.0° | 0.1° |
O11 | C09 | C08 | S12 | 156.3° | 0.0° |
O11 | C09 | C08 | C07 | 20.5° | 179.9° |
C09 | C08 | S12 | C07 | 177.2° | 180.0° |
C09 | C08 | S12 | C04 | 179.1° | 180.0° |
C09 | C08 | C07 | C05 | 178.7° | 180.0° |
C09 | C08 | C07 | H5 | 1.4° | 0.1° |
C08 | C09 | O11 | H6 | 176.2° | 180.0° |
C08 | S12 | C04 | C03 | 176.5° | 180.0° |
C08 | S12 | C04 | C05 | 1.4° | 0.0° |
S12 | C08 | C07 | C05 | 1.7° | 0.0° |
S12 | C08 | C07 | H5 | 178.3° | 180.0° |
C04 | S12 | C08 | C07 | 1.9° | 0.0° |
S12 | C04 | C03 | C05 | 177.7° | 180.0° |
S12 | C04 | C05 | C07 | 0.7° | 0.0° |
S12 | C04 | C03 | C02 | 179.5° | 180.0° |
S12 | C04 | C05 | C06 | 179.1° | 179.7° |
S12 | C04 | C03 | H3 | 0.6° | 0.0° |
C08 | C07 | C05 | C04 | 0.7° | 0.0° |
C08 | C07 | C05 | H5 | 180.0° | 180.0° |
C08 | C07 | C05 | C06 | 177.5° | 179.7° |
C03 | C04 | C05 | C07 | 177.4° | 180.0° |
C04 | C03 | C02 | H3 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 1.1° | 0.3° |
C04 | C03 | C02 | C01 | 1.8° | 0.0° |
C04 | C03 | C02 | H2 | 178.2° | 179.9° |
C04 | C05 | C07 | C06 | 178.2° | 179.7° |
C05 | C04 | C03 | C02 | 1.8° | 0.0° |
C04 | C05 | C06 | C01 | 3.1° | 0.6° |
C05 | C04 | C03 | H3 | 178.3° | 180.0° |
C04 | C05 | C06 | H4 | 176.9° | 180.0° |
C04 | C05 | C07 | H5 | 179.3° | 180.0° |
C07 | C05 | C06 | C01 | 178.8° | 179.8° |
C07 | C05 | C06 | H4 | 1.2° | 0.3° |
C03 | C02 | C01 | H2 | 180.0° | 179.9° |
C03 | C02 | C01 | C06 | 6.2° | 0.3° |
C03 | C02 | C01 | H1 | 173.8° | 180.0° |
C05 | C06 | C01 | C02 | 6.8° | 0.6° |
C05 | C06 | C01 | H4 | 180.0° | 179.5° |
C05 | C06 | C01 | H1 | 173.2° | 179.8° |
C06 | C05 | C07 | H5 | 2.4° | 0.3° |
C02 | C01 | C06 | H1 | 180.0° | 179.7° |
C01 | C02 | C03 | H3 | 178.2° | 180.0° |
C02 | C01 | C06 | H4 | 173.2° | 179.9° |
C06 | C01 | C02 | H2 | 173.8° | 179.8° |
H1 | C01 | C02 | H2 | 6.2° | 0.1° |
H1 | C01 | C06 | H4 | 6.8° | 0.3° |
H2 | C02 | C03 | H3 | 1.8° | 0.0° |