DMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C2 | N | sing | 1.46Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | HC | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | H11 | 119.0° | 109.5° |
| N | C1 | H12 | 108.8° | 109.4° |
| N | C1 | H13 | 108.8° | 109.5° |
| C1 | N | C2 | 119.0° | 120.0° |
| C1 | N | C | 120.2° | 119.9° |
| H11 | C1 | H12 | 108.8° | 109.5° |
| H11 | C1 | H13 | 108.8° | 109.5° |
| H12 | C1 | H13 | 101.3° | 109.5° |
| N | C2 | H21 | 119.0° | 109.5° |
| N | C2 | H22 | 108.8° | 109.5° |
| N | C2 | H23 | 108.7° | 109.5° |
| C2 | N | C | 120.2° | 120.1° |
| H21 | C2 | H22 | 108.8° | 109.5° |
| H21 | C2 | H23 | 108.8° | 109.5° |
| H22 | C2 | H23 | 101.3° | 109.5° |
| O | C | N | 119.8° | 120.0° |
| O | C | HC | 116.3° | 119.9° |
| N | C | HC | 124.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | H11 | H12 | 125.3° | 120.0° |
| N | C1 | H11 | H13 | 125.3° | 120.0° |
| N | C1 | H12 | H13 | 114.5° | 120.0° |
| C1 | N | C2 | C | 171.1° | 180.0° |
| C1 | N | C2 | H21 | 180.0° | 180.0° |
| C1 | N | C2 | H22 | 54.7° | 60.0° |
| C1 | N | C2 | H23 | 54.7° | 60.0° |
| C1 | N | C | O | 87.3° | 180.0° |
| C1 | N | C | HC | 92.7° | 0.0° |
| H11 | C1 | H12 | H13 | 114.5° | 120.0° |
| H11 | C1 | N | C2 | 180.0° | 120.0° |
| H11 | C1 | N | C | 8.9° | 60.0° |
| H12 | C1 | N | C2 | 54.8° | 0.0° |
| H12 | C1 | N | C | 134.2° | 180.0° |
| H13 | C1 | N | C2 | 54.7° | 120.0° |
| H13 | C1 | N | C | 116.3° | 60.0° |
| N | C2 | H21 | H22 | 125.3° | 120.0° |
| N | C2 | H21 | H23 | 125.2° | 120.0° |
| N | C2 | H22 | H23 | 114.4° | 120.0° |
| C2 | N | C | O | 101.8° | 0.0° |
| C2 | N | C | HC | 78.3° | 180.0° |
| H21 | C2 | H22 | H23 | 114.6° | 120.0° |
| H21 | C2 | N | C | 9.0° | 0.0° |
| H22 | C2 | N | C | 116.3° | 120.0° |
| H23 | C2 | N | C | 134.2° | 120.0° |
| O | C | N | HC | 180.0° | 180.0° |
