K2I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C1 | sing | 1.89Å | 1.89Å | |
| C1 | C | doub | 1.34Å | 1.39Å | |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C | C5 | sing | 1.47Å | 1.39Å | |
| O | C2 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.47Å | 1.39Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | C4 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | doub | 1.34Å | 1.38Å | |
| C4 | BR | sing | 1.89Å | 1.89Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C1 | C | 120.2° | 120.0° |
| BR1 | C1 | C2 | 120.1° | 120.0° |
| C | C1 | C2 | 119.7° | 120.0° |
| C1 | C | C5 | 119.5° | 120.0° |
| C1 | C | H2 | 120.2° | 120.0° |
| C1 | C2 | O | 120.4° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C | C5 | O1 | 119.9° | 120.0° |
| C | C5 | C4 | 121.0° | 120.0° |
| C5 | C | H2 | 120.3° | 120.0° |
| O | C2 | C3 | 119.3° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H1 | 119.9° | 120.0° |
| O1 | C5 | C4 | 119.1° | 120.0° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C5 | C4 | BR | 120.8° | 120.0° |
| C3 | C4 | BR | 120.0° | 120.0° |
| C4 | C3 | H1 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C1 | C | C2 | 179.9° | 180.0° |
| BR1 | C1 | C | C5 | 179.9° | 180.0° |
| BR1 | C1 | C2 | O | 0.0° | 0.0° |
| BR1 | C1 | C2 | C3 | 180.0° | 179.7° |
| BR1 | C1 | C | H2 | 0.2° | 0.0° |
| C1 | C | C5 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | O | 179.9° | 180.0° |
| C | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C | C5 | O1 | 179.4° | 180.0° |
| C1 | C | C5 | C4 | 0.3° | 0.3° |
| C2 | C1 | C | C5 | 0.1° | 0.0° |
| C1 | C2 | O | C3 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.0° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C | H2 | 179.9° | 180.0° |
| C | C5 | O1 | C4 | 179.1° | 179.7° |
| C | C5 | C4 | C3 | 0.4° | 0.3° |
| C | C5 | C4 | BR | 179.6° | 179.7° |
| O | C2 | C3 | C4 | 180.0° | 180.0° |
| O | C2 | C3 | H1 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | BR | 179.7° | 180.0° |
| O1 | C5 | C4 | C3 | 179.5° | 180.0° |
| O1 | C5 | C4 | BR | 0.4° | 0.0° |
| O1 | C5 | C | H2 | 0.6° | 0.0° |
| C5 | C4 | C3 | BR | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.8° | 180.0° |
| C4 | C5 | C | H2 | 179.7° | 179.7° |
| BR | C4 | C3 | H1 | 0.2° | 0.0° |
