7N6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O9 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O8 | C1 | doub | 1.21Å | 1.27Å | |
| C1 | O7 | sing | 1.34Å | 1.24Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O9 | H5 | sing | 0.97Å | 0.95Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 115.2° | 109.4° |
| C3 | C2 | O9 | 102.1° | 109.5° |
| C2 | C3 | C4 | 110.9° | 109.4° |
| C3 | C2 | H6 | 109.4° | 109.5° |
| C2 | C3 | H8 | 109.1° | 109.5° |
| C2 | C3 | H9 | 109.1° | 109.5° |
| C1 | C2 | O9 | 109.4° | 109.5° |
| C2 | C1 | O8 | 122.3° | 120.0° |
| C2 | C1 | O7 | 117.9° | 120.0° |
| C1 | C2 | H6 | 109.6° | 109.5° |
| C2 | O9 | H5 | 109.5° | 114.0° |
| O9 | C2 | H6 | 110.9° | 109.5° |
| C3 | C4 | C5 | 106.5° | 109.5° |
| C3 | C4 | H3 | 110.2° | 109.5° |
| C3 | C4 | H4 | 110.2° | 109.4° |
| C4 | C3 | H8 | 109.1° | 109.5° |
| C4 | C3 | H9 | 109.1° | 109.4° |
| O8 | C1 | O7 | 119.8° | 120.0° |
| C1 | O7 | H7 | 109.5° | 117.0° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C4 | C5 | H1 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C5 | C4 | H3 | 110.2° | 109.5° |
| C5 | C4 | H4 | 110.2° | 109.5° |
| C6 | C5 | H1 | 109.5° | 109.4° |
| C6 | C5 | H2 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.4° |
| H11 | C6 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | O9 | 114.3° | 120.0° |
| C3 | C2 | C1 | H6 | 123.9° | 120.0° |
| C3 | C2 | O9 | H6 | 116.5° | 120.0° |
| C2 | C3 | C4 | H8 | 120.2° | 120.0° |
| C2 | C3 | C4 | H9 | 120.2° | 120.0° |
| C3 | C2 | C1 | O8 | 175.3° | 115.0° |
| C3 | C2 | C1 | O7 | 6.2° | 65.1° |
| C2 | C3 | C4 | C5 | 97.8° | 180.0° |
| C2 | C3 | C4 | H3 | 142.7° | 60.0° |
| C2 | C3 | C4 | H4 | 21.7° | 60.0° |
| C3 | C2 | O9 | H5 | 180.0° | 60.0° |
| C2 | C3 | H8 | H9 | 119.4° | 120.0° |
| C1 | C2 | O9 | H6 | 121.1° | 120.0° |
| C1 | C2 | C3 | C4 | 27.3° | 175.0° |
| C2 | C1 | O8 | O7 | 178.6° | 180.0° |
| C1 | C2 | O9 | H5 | 57.5° | 60.0° |
| C2 | C1 | O7 | H7 | 178.6° | 180.0° |
| C1 | C2 | C3 | H8 | 147.5° | 65.0° |
| C1 | C2 | C3 | H9 | 92.9° | 55.0° |
| O9 | C2 | C3 | C4 | 91.1° | 65.0° |
| O9 | C2 | C1 | O8 | 70.5° | 5.0° |
| O9 | C2 | C1 | O7 | 108.1° | 175.0° |
| O9 | C2 | C3 | H8 | 29.1° | 55.0° |
| O9 | C2 | C3 | H9 | 148.7° | 175.0° |
| C3 | C4 | C5 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | H4 | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 5.3° | 180.0° |
| C3 | C4 | C5 | H1 | 114.7° | 60.0° |
| C3 | C4 | C5 | H2 | 125.3° | 60.0° |
| C3 | C4 | H3 | H4 | 121.4° | 120.0° |
| C4 | C3 | C2 | H6 | 151.3° | 55.0° |
| C4 | C3 | H8 | H9 | 119.3° | 120.0° |
| O8 | C1 | C2 | H6 | 51.4° | 125.0° |
| O8 | C1 | O7 | H7 | 0.0° | 0.0° |
| O7 | C1 | C2 | H6 | 130.0° | 55.0° |
| C4 | C5 | C6 | H1 | 120.0° | 120.0° |
| C4 | C5 | C6 | H2 | 120.0° | 120.0° |
| C4 | C5 | H1 | H2 | 120.0° | 120.0° |
| C5 | C4 | H3 | H4 | 121.4° | 120.0° |
| C5 | C4 | C3 | H8 | 22.4° | 60.0° |
| C5 | C4 | C3 | H9 | 142.0° | 60.0° |
| C4 | C5 | C6 | H10 | 180.0° | 60.0° |
| C4 | C5 | C6 | H11 | 60.0° | 60.0° |
| C4 | C5 | C6 | H12 | 60.0° | 180.0° |
| C6 | C5 | H1 | H2 | 120.0° | 120.0° |
| C6 | C5 | C4 | H3 | 124.9° | 60.0° |
| C6 | C5 | C4 | H4 | 114.2° | 60.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| H1 | C5 | C4 | H3 | 4.9° | 60.0° |
| H1 | C5 | C4 | H4 | 125.8° | 180.0° |
| H1 | C5 | C6 | H10 | 60.0° | 180.0° |
| H1 | C5 | C6 | H11 | 180.0° | 60.0° |
| H1 | C5 | C6 | H12 | 60.0° | 60.0° |
| H2 | C5 | C4 | H3 | 115.1° | 180.0° |
| H2 | C5 | C4 | H4 | 5.8° | 60.0° |
| H2 | C5 | C6 | H10 | 60.0° | 60.0° |
| H2 | C5 | C6 | H11 | 60.0° | 180.0° |
| H2 | C5 | C6 | H12 | 180.0° | 60.0° |
| H3 | C4 | C3 | H8 | 97.1° | 180.0° |
| H3 | C4 | C3 | H9 | 22.5° | 60.0° |
| H4 | C4 | C3 | H8 | 142.0° | 60.0° |
| H4 | C4 | C3 | H9 | 98.5° | 180.0° |
| H5 | O9 | C2 | H6 | 63.5° | 180.0° |
| H6 | C2 | C3 | H8 | 88.5° | 175.0° |
| H6 | C2 | C3 | H9 | 31.1° | 65.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.0° |
