5H6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
C11 | C12 | doub | 1.34Å | 1.39Å | Aromatic |
CL | C12 | sing | 1.74Å | 1.67Å | |
C10 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
C12 | S14 | sing | 1.76Å | 1.68Å | Aromatic |
C09 | S14 | sing | 1.76Å | 1.67Å | Aromatic |
C09 | C06 | sing | 1.47Å | 1.42Å | |
C05 | C06 | doub | 1.37Å | 1.37Å | Aromatic |
C05 | C04 | sing | 1.42Å | 1.45Å | Aromatic |
C06 | O07 | sing | 1.35Å | 1.42Å | Aromatic |
O03 | C02 | doub | 1.21Å | 1.25Å | |
C04 | C02 | sing | 1.48Å | 1.47Å | |
C04 | N08 | doub | 1.31Å | 1.36Å | Aromatic |
O07 | N08 | sing | 1.21Å | 1.33Å | Aromatic |
C02 | O01 | sing | 1.35Å | 1.37Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
O01 | H2 | sing | 0.97Å | 0.95Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C11 | C12 | 111.4° | 115.2° |
C11 | C10 | C09 | 111.0° | 114.4° |
C11 | C10 | H1 | 124.5° | 122.8° |
C10 | C11 | H4 | 124.3° | 122.4° |
C11 | C12 | CL | 124.5° | 125.1° |
C11 | C12 | S14 | 112.2° | 109.9° |
C12 | C11 | H4 | 124.3° | 122.4° |
CL | C12 | S14 | 123.3° | 125.0° |
C10 | C09 | S14 | 112.7° | 109.4° |
C10 | C09 | C06 | 123.6° | 125.3° |
C09 | C10 | H1 | 124.5° | 122.8° |
C12 | S14 | C09 | 92.6° | 91.1° |
S14 | C09 | C06 | 123.7° | 125.3° |
C09 | C06 | C05 | 128.2° | 126.9° |
C09 | C06 | O07 | 123.8° | 126.9° |
C06 | C05 | C04 | 104.4° | 103.8° |
C05 | C06 | O07 | 108.0° | 106.3° |
C06 | C05 | H3 | 127.8° | 128.1° |
C05 | C04 | C02 | 122.2° | 126.8° |
C05 | C04 | N08 | 109.6° | 106.4° |
C04 | C05 | H3 | 127.8° | 128.1° |
C06 | O07 | N08 | 109.8° | 111.7° |
O03 | C02 | C04 | 127.1° | 120.0° |
O03 | C02 | O01 | 117.7° | 120.0° |
C02 | C04 | N08 | 128.1° | 126.8° |
C04 | C02 | O01 | 108.6° | 120.0° |
C04 | N08 | O07 | 108.2° | 111.8° |
C02 | O01 | H2 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C11 | C12 | H4 | 180.0° | 180.0° |
C10 | C11 | C12 | CL | 179.8° | 180.0° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C10 | C11 | C12 | S14 | 0.2° | 0.3° |
C11 | C10 | C09 | S14 | 0.5° | 0.3° |
C11 | C10 | C09 | C06 | 179.7° | 179.7° |
C11 | C12 | CL | S14 | 179.5° | 179.7° |
C12 | C11 | C10 | C09 | 0.2° | 0.0° |
C11 | C12 | S14 | C09 | 0.4° | 0.4° |
C12 | C11 | C10 | H1 | 179.8° | 179.7° |
CL | C12 | S14 | C09 | 180.0° | 179.9° |
CL | C12 | C11 | H4 | 0.3° | 0.0° |
C10 | C09 | S14 | C12 | 0.5° | 0.4° |
C10 | C09 | S14 | C06 | 179.2° | 180.0° |
C10 | C09 | C06 | C05 | 6.5° | 180.0° |
C10 | C09 | C06 | O07 | 172.9° | 0.0° |
C09 | C10 | C11 | H4 | 179.8° | 180.0° |
C12 | S14 | C09 | C06 | 179.8° | 179.7° |
S14 | C12 | C11 | H4 | 179.8° | 179.7° |
S14 | C09 | C06 | C05 | 172.6° | 0.0° |
S14 | C09 | C06 | O07 | 7.9° | 180.0° |
S14 | C09 | C10 | H1 | 179.5° | 180.0° |
C09 | C06 | C05 | O07 | 179.5° | 180.0° |
C09 | C06 | C05 | C04 | 179.1° | 180.0° |
C09 | C06 | O07 | N08 | 179.4° | 179.7° |
C06 | C09 | C10 | H1 | 0.3° | 0.0° |
C09 | C06 | C05 | H3 | 0.9° | 0.0° |
C06 | C05 | C04 | H3 | 180.0° | 180.0° |
C06 | C05 | C04 | C02 | 177.7° | 180.0° |
C06 | C05 | C04 | N08 | 0.6° | 0.2° |
C05 | C06 | O07 | N08 | 0.2° | 0.3° |
C04 | C05 | C06 | O07 | 0.4° | 0.0° |
C05 | C04 | C02 | O03 | 94.8° | 0.3° |
C05 | C04 | C02 | N08 | 177.9° | 179.7° |
C05 | C04 | N08 | O07 | 0.5° | 0.4° |
C05 | C04 | C02 | O01 | 55.7° | 179.7° |
C06 | O07 | N08 | C04 | 0.2° | 0.5° |
O07 | C06 | C05 | H3 | 179.6° | 180.0° |
O03 | C02 | C04 | O01 | 150.5° | 179.9° |
O03 | C02 | C04 | N08 | 83.1° | 180.0° |
O03 | C02 | O01 | H2 | 0.0° | 0.0° |
C02 | C04 | N08 | O07 | 177.6° | 179.8° |
C04 | C02 | O01 | H2 | 153.7° | 179.9° |
C02 | C04 | C05 | H3 | 2.3° | 0.0° |
N08 | C04 | C02 | O01 | 126.4° | 0.0° |
N08 | C04 | C05 | H3 | 179.5° | 179.7° |
H1 | C10 | C11 | H4 | 0.2° | 0.3° |