V5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C10 | trip | 1.14Å | 1.15Å | |
| C10 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.35Å | 1.40Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| C6 | C5 | sing | 1.42Å | 1.48Å | |
| C5 | C4 | doub | 1.35Å | 1.33Å | |
| C4 | C2 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | N | sing | 1.34Å | 1.41Å | Aromatic |
| C3 | S | sing | 1.71Å | 1.70Å | Aromatic |
| N | C1 | doub | 1.29Å | 1.31Å | Aromatic |
| S | C1 | sing | 1.71Å | 1.75Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.47Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C10 | C9 | 179.2° | 180.0° |
| C10 | C9 | C8 | 110.4° | 109.5° |
| C10 | C9 | H6 | 109.2° | 109.5° |
| C10 | C9 | H7 | 109.2° | 109.5° |
| C9 | C8 | N1 | 108.8° | 109.5° |
| C9 | C8 | H4 | 109.6° | 109.5° |
| C9 | C8 | H5 | 109.6° | 109.5° |
| C8 | C9 | H6 | 109.2° | 109.5° |
| C8 | C9 | H7 | 109.3° | 109.4° |
| C7 | N1 | C8 | 117.0° | 120.0° |
| C7 | N1 | C6 | 120.8° | 120.0° |
| N1 | C7 | H1 | 109.5° | 109.5° |
| N1 | C7 | H2 | 109.5° | 109.5° |
| N1 | C7 | H3 | 109.4° | 109.5° |
| C8 | N1 | C6 | 122.2° | 120.0° |
| N1 | C8 | H4 | 109.6° | 109.5° |
| N1 | C8 | H5 | 109.6° | 109.4° |
| N1 | C6 | O | 119.3° | 120.0° |
| N1 | C6 | C5 | 118.0° | 120.0° |
| O | C6 | C5 | 122.7° | 120.0° |
| C6 | C5 | C4 | 119.2° | 120.0° |
| C6 | C5 | H8 | 120.4° | 120.0° |
| C5 | C4 | C2 | 123.8° | 120.0° |
| C4 | C5 | H8 | 120.4° | 120.0° |
| C5 | C4 | H9 | 118.1° | 120.0° |
| C4 | C2 | C3 | 125.9° | 123.3° |
| C4 | C2 | N | 119.3° | 123.3° |
| C2 | C4 | H9 | 118.1° | 120.0° |
| C3 | C2 | N | 114.6° | 113.4° |
| C2 | C3 | S | 111.5° | 108.7° |
| C2 | C3 | H10 | 124.3° | 125.7° |
| C2 | N | C1 | 109.5° | 115.9° |
| C3 | S | C1 | 89.0° | 91.2° |
| S | C3 | H10 | 124.2° | 125.6° |
| N | C1 | S | 115.4° | 110.8° |
| N | C1 | C | 123.6° | 124.6° |
| S | C1 | C | 121.0° | 124.6° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H1 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.4° | 109.5° |
| H12 | C | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C10 | C9 | C8 | 161.9° | 172.7° |
| N2 | C10 | C9 | H6 | 78.0° | 52.6° |
| N2 | C10 | C9 | H7 | 41.7° | 67.3° |
| C10 | C9 | C8 | H6 | 120.1° | 120.0° |
| C10 | C9 | C8 | H7 | 120.1° | 120.0° |
| C10 | C9 | C8 | N1 | 158.5° | 180.0° |
| C10 | C9 | C8 | H4 | 38.6° | 60.0° |
| C10 | C9 | C8 | H5 | 81.6° | 60.1° |
| C10 | C9 | H6 | H7 | 119.6° | 120.0° |
| C9 | C8 | N1 | C7 | 38.8° | 90.3° |
| C9 | C8 | N1 | H4 | 119.9° | 120.1° |
| C9 | C8 | N1 | H5 | 119.9° | 120.0° |
| C9 | C8 | N1 | C6 | 140.6° | 90.0° |
| C9 | C8 | H4 | H5 | 120.3° | 120.0° |
| C8 | C9 | H6 | H7 | 119.6° | 120.0° |
| C7 | N1 | C8 | C6 | 179.4° | 179.7° |
| C7 | N1 | C6 | O | 0.6° | 180.0° |
| C7 | N1 | C6 | C5 | 179.8° | 0.0° |
| N1 | C7 | H1 | H2 | 120.0° | 120.0° |
| N1 | C7 | H1 | H3 | 120.0° | 120.0° |
| N1 | C7 | H2 | H3 | 120.0° | 120.0° |
| C7 | N1 | C8 | H4 | 81.1° | 29.8° |
| C7 | N1 | C8 | H5 | 158.7° | 149.7° |
| C8 | N1 | C6 | O | 178.8° | 0.3° |
| C8 | N1 | C6 | C5 | 0.8° | 179.8° |
| C8 | N1 | C7 | H1 | 180.0° | 89.7° |
| C8 | N1 | C7 | H2 | 60.0° | 30.3° |
| C8 | N1 | C7 | H3 | 60.0° | 150.2° |
| N1 | C8 | H4 | H5 | 120.3° | 119.9° |
| N1 | C8 | C9 | H6 | 81.4° | 60.0° |
| N1 | C8 | C9 | H7 | 38.4° | 60.0° |
| N1 | C6 | O | C5 | 179.6° | 179.9° |
| N1 | C6 | C5 | C4 | 96.1° | 180.0° |
| C6 | N1 | C7 | H1 | 0.6° | 90.0° |
| C6 | N1 | C7 | H2 | 119.4° | 150.0° |
| C6 | N1 | C7 | H3 | 120.6° | 30.1° |
| C6 | N1 | C8 | H4 | 99.5° | 150.0° |
| C6 | N1 | C8 | H5 | 20.7° | 30.0° |
| N1 | C6 | C5 | H8 | 83.9° | 0.0° |
| O | C6 | C5 | C4 | 84.3° | 0.1° |
| O | C6 | C5 | H8 | 95.6° | 180.0° |
| C6 | C5 | C4 | H8 | 180.0° | 180.0° |
| C6 | C5 | C4 | C2 | 179.8° | 180.0° |
| C6 | C5 | C4 | H9 | 0.1° | 0.0° |
| C5 | C4 | C2 | H9 | 180.0° | 180.0° |
| C5 | C4 | C2 | C3 | 2.1° | 180.0° |
| C5 | C4 | C2 | N | 172.7° | 0.1° |
| C4 | C2 | C3 | N | 175.0° | 179.9° |
| C4 | C2 | C3 | S | 174.1° | 180.0° |
| C4 | C2 | N | C1 | 174.2° | 179.8° |
| C2 | C4 | C5 | H8 | 0.2° | 0.0° |
| C4 | C2 | C3 | H10 | 5.9° | 0.2° |
| C2 | C3 | S | H10 | 180.0° | 179.8° |
| C3 | C2 | N | C1 | 1.2° | 0.1° |
| C2 | C3 | S | C1 | 0.4° | 0.2° |
| C3 | C2 | C4 | H9 | 177.9° | 0.0° |
| N | C2 | C3 | S | 0.9° | 0.1° |
| C2 | N | C1 | S | 0.9° | 0.3° |
| C2 | N | C1 | C | 177.8° | 180.0° |
| N | C2 | C4 | H9 | 7.3° | 179.9° |
| N | C2 | C3 | H10 | 179.1° | 179.9° |
| C3 | S | C1 | N | 0.3° | 0.3° |
| C3 | S | C1 | C | 178.4° | 180.0° |
| N | C1 | S | C | 178.7° | 179.7° |
| N | C1 | C | H11 | 0.0° | 90.0° |
| N | C1 | C | H12 | 120.0° | 149.9° |
| N | C1 | C | H13 | 120.0° | 30.0° |
| C1 | S | C3 | H10 | 179.6° | 180.0° |
| S | C1 | C | H11 | 178.6° | 90.3° |
| S | C1 | C | H12 | 58.5° | 29.7° |
| S | C1 | C | H13 | 61.4° | 149.7° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 119.9° |
| C1 | C | H12 | H13 | 120.0° | 119.9° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H4 | C8 | C9 | H6 | 158.7° | NaN° |
| H4 | C8 | C9 | H7 | 81.5° | 60.0° |
| H5 | C8 | C9 | H6 | 38.5° | 60.0° |
| H5 | C8 | C9 | H7 | 158.3° | 180.0° |
| H8 | C5 | C4 | H9 | 179.9° | 180.0° |
| H11 | C | H12 | H13 | 120.0° | 120.1° |
