X4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C6 | sing | 1.39Å | 1.36Å | |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N1 | sing | 1.39Å | 1.38Å | |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N2 | C6 | 118.3° | 121.9° |
| N2 | C5 | C4 | 123.4° | 120.9° |
| N2 | C5 | H8 | 118.3° | 119.6° |
| N2 | C6 | N3 | 116.8° | 119.7° |
| N2 | C6 | C7 | 122.1° | 120.6° |
| N3 | C6 | C7 | 121.1° | 119.7° |
| C6 | N3 | H10 | 109.5° | 120.0° |
| C6 | N3 | H11 | 109.5° | 120.0° |
| C5 | C4 | C3 | 119.4° | 119.2° |
| C5 | C4 | H7 | 120.3° | 120.5° |
| C4 | C5 | H8 | 118.3° | 119.5° |
| C6 | C7 | C3 | 119.0° | 119.0° |
| C6 | C7 | H9 | 120.5° | 120.4° |
| C4 | C3 | C7 | 117.7° | 118.3° |
| C4 | C3 | N1 | 121.4° | 120.8° |
| C3 | C4 | H7 | 120.3° | 120.3° |
| C7 | C3 | N1 | 120.9° | 120.8° |
| C3 | C7 | H9 | 120.5° | 120.5° |
| C3 | N1 | C1 | 121.4° | 120.0° |
| C3 | N1 | C2 | 121.0° | 120.0° |
| C1 | N1 | C2 | 117.6° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C2 | H4 | 109.5° | 109.4° |
| N1 | C2 | H5 | 109.5° | 109.5° |
| N1 | C2 | H6 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H4 | C2 | H6 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H10 | N3 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N2 | C6 | N3 | 179.7° | 179.6° |
| N2 | C5 | C4 | H8 | 180.0° | 179.9° |
| C5 | N2 | C6 | C7 | 0.2° | 0.4° |
| N2 | C5 | C4 | C3 | 0.7° | 0.1° |
| N2 | C5 | C4 | H7 | 179.3° | 179.9° |
| N2 | C6 | N3 | C7 | 179.9° | 180.0° |
| C6 | N2 | C5 | C4 | 0.2° | 0.4° |
| N2 | C6 | C7 | C3 | 0.1° | 0.0° |
| C6 | N2 | C5 | H8 | 179.7° | 179.7° |
| N2 | C6 | C7 | H9 | 179.8° | 180.0° |
| N2 | C6 | N3 | H10 | 0.0° | 179.9° |
| N2 | C6 | N3 | H11 | 120.0° | 0.0° |
| N3 | C6 | C7 | C3 | 179.7° | 180.0° |
| N3 | C6 | C7 | H9 | 0.3° | 0.0° |
| C6 | N3 | H10 | H11 | 120.0° | 179.9° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | C7 | 0.7° | 0.2° |
| C5 | C4 | C3 | N1 | 179.4° | 179.9° |
| C6 | C7 | C3 | C4 | 0.3° | 0.3° |
| C6 | C7 | C3 | H9 | 180.0° | 180.0° |
| C6 | C7 | C3 | N1 | 179.0° | 179.9° |
| C7 | C6 | N3 | H10 | 179.9° | 0.1° |
| C7 | C6 | N3 | H11 | 60.1° | 180.0° |
| C4 | C3 | C7 | N1 | 178.7° | 179.7° |
| C4 | C3 | N1 | C1 | 179.2° | 0.1° |
| C4 | C3 | N1 | C2 | 3.5° | 180.0° |
| C3 | C4 | C5 | H8 | 179.3° | 180.0° |
| C4 | C3 | C7 | H9 | 179.7° | 179.7° |
| C7 | C3 | N1 | C1 | 2.1° | 179.7° |
| C7 | C3 | N1 | C2 | 175.2° | 0.4° |
| C7 | C3 | C4 | H7 | 179.3° | 179.7° |
| C3 | N1 | C1 | C2 | 177.4° | 179.9° |
| C3 | N1 | C1 | H1 | 180.0° | 90.0° |
| C3 | N1 | C1 | H2 | 60.0° | 150.1° |
| C3 | N1 | C1 | H3 | 60.0° | 30.1° |
| C3 | N1 | C2 | H4 | 180.0° | 90.1° |
| C3 | N1 | C2 | H5 | 60.0° | 150.0° |
| C3 | N1 | C2 | H6 | 60.0° | 29.9° |
| N1 | C3 | C4 | H7 | 0.6° | 0.1° |
| N1 | C3 | C7 | H9 | 1.0° | 0.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | H4 | 2.5° | 90.0° |
| C1 | N1 | C2 | H5 | 122.5° | 29.9° |
| C1 | N1 | C2 | H6 | 117.4° | 150.0° |
| C2 | N1 | C1 | H1 | 2.5° | 89.9° |
| C2 | N1 | C1 | H2 | 117.5° | 30.0° |
| C2 | N1 | C1 | H3 | 122.5° | 150.0° |
| N1 | C2 | H4 | H5 | 120.0° | 120.0° |
| N1 | C2 | H4 | H6 | 120.0° | 120.0° |
| N1 | C2 | H5 | H6 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | C5 | H8 | 0.7° | 0.1° |
