R2N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| H1 | C1 | sing | 1.09Å | 1.10Å | |
| H1B | C1 | sing | 1.09Å | 1.10Å | |
| N2 | C1 | sing | 1.46Å | 1.46Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C11 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C12 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| BR8 | C7 | sing | 1.89Å | 1.90Å | |
| C9 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| H9 | C9 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| H10 | C10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| O13 | C12 | doub | 1.22Å | 1.25Å | |
| C12 | O14 | sing | 1.35Å | 1.25Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1 | C1 | N2 | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | N2 | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.5° |
| C1 | N2 | C11 | 125.3° | 125.6° |
| C1 | N2 | C3 | 125.9° | 125.6° |
| C11 | N2 | C3 | 108.9° | 108.8° |
| N2 | C11 | C5 | 107.8° | 107.4° |
| N2 | C11 | C10 | 131.0° | 133.2° |
| N2 | C3 | C4 | 107.5° | 109.1° |
| N2 | C3 | C12 | 123.6° | 125.5° |
| C4 | C3 | C12 | 128.9° | 125.4° |
| C3 | C4 | C5 | 108.8° | 107.7° |
| C3 | C4 | H4 | 125.6° | 126.1° |
| C3 | C12 | O13 | 118.2° | 120.0° |
| C3 | C12 | O14 | 117.1° | 120.0° |
| C5 | C4 | H4 | 125.6° | 126.2° |
| C4 | C5 | C6 | 134.5° | 133.3° |
| C4 | C5 | C11 | 107.0° | 107.0° |
| C6 | C5 | C11 | 118.5° | 119.7° |
| C5 | C6 | C7 | 119.7° | 119.8° |
| C5 | C6 | H6 | 120.1° | 120.1° |
| C5 | C11 | C10 | 121.2° | 119.4° |
| C7 | C6 | H6 | 120.1° | 120.1° |
| C6 | C7 | BR8 | 119.3° | 119.7° |
| C6 | C7 | C9 | 121.2° | 120.6° |
| BR8 | C7 | C9 | 119.4° | 119.7° |
| C7 | C9 | H9 | 120.1° | 119.6° |
| C7 | C9 | C10 | 119.8° | 120.6° |
| H9 | C9 | C10 | 120.1° | 119.7° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.5° | 119.8° |
| H10 | C10 | C11 | 120.3° | 120.1° |
| O13 | C12 | O14 | 124.7° | 120.0° |
| C12 | O14 | HO14 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C1 | H1B | N2 | 120.0° | 120.0° |
| H1 | C1 | H1B | H1A | 120.0° | 120.0° |
| H1 | C1 | N2 | H1A | 120.0° | 120.0° |
| H1 | C1 | N2 | C11 | 180.0° | 149.7° |
| H1 | C1 | N2 | C3 | 0.0° | 29.9° |
| H1B | C1 | N2 | H1A | 120.0° | 120.0° |
| H1B | C1 | N2 | C11 | 60.0° | 29.7° |
| H1B | C1 | N2 | C3 | 120.0° | 149.9° |
| C1 | N2 | C11 | C3 | 180.0° | 179.7° |
| C1 | N2 | C3 | C4 | 179.6° | 179.9° |
| C1 | N2 | C3 | C12 | 0.1° | 0.1° |
| C1 | N2 | C11 | C5 | 179.7° | 179.9° |
| C1 | N2 | C11 | C10 | 0.6° | 0.8° |
| H1A | C1 | N2 | C11 | 60.0° | 90.3° |
| H1A | C1 | N2 | C3 | 120.0° | 90.0° |
| C11 | N2 | C3 | C4 | 0.4° | 0.2° |
| C11 | N2 | C3 | C12 | 179.8° | 179.8° |
| N2 | C11 | C5 | C4 | 0.1° | 0.4° |
| N2 | C11 | C5 | C6 | 179.9° | 179.8° |
| N2 | C11 | C5 | C10 | 179.7° | 179.3° |
| N2 | C11 | C10 | C9 | 179.7° | 179.6° |
| N2 | C11 | C10 | H10 | 0.3° | 0.7° |
| N2 | C3 | C4 | C12 | 179.4° | 180.0° |
| N2 | C3 | C4 | C5 | 0.3° | 0.0° |
| N2 | C3 | C4 | H4 | 179.6° | 179.9° |
| C3 | N2 | C11 | C5 | 0.3° | 0.4° |
| C3 | N2 | C11 | C10 | 179.4° | 179.6° |
| N2 | C3 | C12 | O13 | 47.5° | 180.0° |
| N2 | C3 | C12 | O14 | 132.6° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.6° | 180.0° |
| C3 | C4 | C5 | C11 | 0.2° | 0.3° |
| C4 | C3 | C12 | O13 | 133.2° | 0.0° |
| C4 | C3 | C12 | O14 | 46.7° | 180.0° |
| C12 | C3 | C4 | C5 | 179.7° | 180.0° |
| C12 | C3 | C4 | H4 | 0.2° | 0.1° |
| C3 | C12 | O13 | O14 | 179.9° | 180.0° |
| C3 | C12 | O14 | HO14 | 179.9° | 180.0° |
| C4 | C5 | C6 | C11 | 179.8° | 179.7° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C4 | C5 | C6 | H6 | 0.5° | 0.1° |
| C4 | C5 | C11 | C10 | 179.6° | 179.7° |
| H4 | C4 | C5 | C6 | 0.4° | 0.1° |
| H4 | C4 | C5 | C11 | 179.8° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | BR8 | 179.3° | 180.0° |
| C5 | C6 | C7 | C9 | 0.3° | 0.0° |
| C6 | C5 | C11 | C10 | 0.2° | 0.5° |
| C11 | C5 | C6 | C7 | 0.3° | 0.2° |
| C11 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C11 | C10 | C9 | 0.1° | 0.5° |
| C5 | C11 | C10 | H10 | 179.9° | 179.8° |
| C6 | C7 | BR8 | C9 | 179.6° | 180.0° |
| C6 | C7 | C9 | H9 | 179.8° | 180.0° |
| C6 | C7 | C9 | C10 | 0.1° | 0.0° |
| H6 | C6 | C7 | BR8 | 0.7° | 0.0° |
| H6 | C6 | C7 | C9 | 179.7° | 180.0° |
| BR8 | C7 | C9 | H9 | 0.6° | 0.0° |
| BR8 | C7 | C9 | C10 | 179.4° | 180.0° |
| C7 | C9 | H9 | C10 | 180.0° | 180.0° |
| C7 | C9 | C10 | H10 | 180.0° | 180.0° |
| C7 | C9 | C10 | C11 | 0.0° | 0.2° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| H9 | C9 | C10 | C11 | 179.9° | 179.7° |
| C9 | C10 | H10 | C11 | 180.0° | 179.7° |
| O13 | C12 | O14 | HO14 | 0.0° | 0.0° |
