E7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.12Å | |
| SE | C | sing | 1.96Å | 1.85Å | |
| C | C1 | sing | 1.47Å | 1.48Å | |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| SE | H5 | sing | 1.56Å | 1.46Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | SE | 125.9° | 120.1° |
| O | C | C1 | 105.8° | 120.0° |
| SE | C | C1 | 127.7° | 120.0° |
| C | SE | H5 | 109.5° | 101.0° |
| C | C1 | C6 | 113.8° | 120.1° |
| C | C1 | C2 | 125.9° | 120.2° |
| C1 | C6 | C5 | 120.2° | 119.8° |
| C6 | C1 | C2 | 119.2° | 119.7° |
| C1 | C6 | H4 | 119.9° | 120.1° |
| C6 | C5 | C4 | 120.2° | 120.2° |
| C6 | C5 | H3 | 119.9° | 119.9° |
| C5 | C6 | H4 | 119.9° | 120.1° |
| C1 | C2 | C3 | 120.2° | 119.8° |
| C1 | C2 | H1 | 119.9° | 120.1° |
| C5 | C4 | C3 | 119.7° | 120.4° |
| C5 | C4 | H2 | 120.2° | 119.8° |
| C4 | C5 | H3 | 119.9° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C3 | C2 | H1 | 119.9° | 120.1° |
| C2 | C3 | H6 | 119.8° | 119.9° |
| C3 | C4 | H2 | 120.1° | 119.8° |
| C4 | C3 | H6 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | SE | C1 | 169.7° | 180.0° |
| O | C | C1 | C6 | 4.2° | 0.0° |
| O | C | C1 | C2 | 163.8° | 180.0° |
| O | C | SE | H5 | 0.0° | 0.0° |
| SE | C | C1 | C6 | 175.5° | 180.0° |
| SE | C | C1 | C2 | 7.5° | 0.0° |
| C | C1 | C6 | C2 | 168.9° | 180.0° |
| C | C1 | C6 | C5 | 164.9° | 179.5° |
| C | C1 | C2 | C3 | 165.0° | 180.0° |
| C | C1 | C2 | H1 | 15.0° | 0.2° |
| C | C1 | C6 | H4 | 15.1° | 0.1° |
| C1 | C | SE | H5 | 169.7° | 180.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.4° |
| C1 | C6 | C5 | C4 | 2.7° | 0.8° |
| C6 | C1 | C2 | C3 | 2.4° | 0.1° |
| C6 | C1 | C2 | H1 | 177.6° | 179.7° |
| C1 | C6 | C5 | H3 | 177.3° | 179.8° |
| C5 | C6 | C1 | C2 | 3.9° | 0.6° |
| C6 | C5 | C4 | H3 | 180.0° | 179.4° |
| C6 | C5 | C4 | C3 | 0.1° | 0.6° |
| C6 | C5 | C4 | H2 | 179.9° | 179.5° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | H4 | 176.1° | 180.0° |
| C1 | C2 | C3 | H6 | 179.7° | 179.8° |
| C5 | C4 | C3 | C2 | 1.7° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 177.3° | 179.8° |
| C5 | C4 | C3 | H6 | 178.4° | 180.0° |
| C2 | C3 | C4 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 178.3° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| H1 | C2 | C3 | H6 | 0.3° | 0.1° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| H2 | C4 | C3 | H6 | 1.6° | 0.1° |
| H3 | C5 | C6 | H4 | 2.7° | 0.4° |
