UW6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.51Å | 1.47Å | |
C1 | C2 | doub | 1.37Å | 1.37Å | |
C1 | C4 | sing | 1.40Å | 1.39Å | |
C2 | C3 | sing | 1.41Å | 1.39Å | |
C4 | N1 | doub | 1.30Å | 1.35Å | |
C3 | O | doub | 1.22Å | 1.31Å | |
C3 | N | sing | 1.35Å | 1.36Å | |
N1 | N | sing | 1.28Å | 1.27Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N | H3 | sing | 0.97Å | 1.00Å | |
C | H4 | sing | 1.09Å | 1.10Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C | H6 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C1 | C2 | 121.9° | 120.8° |
C | C1 | C4 | 120.2° | 120.9° |
C1 | C | H4 | 109.5° | 109.5° |
C1 | C | H5 | 109.5° | 109.5° |
C1 | C | H6 | 109.5° | 109.5° |
C2 | C1 | C4 | 117.9° | 118.3° |
C1 | C2 | C3 | 116.8° | 117.8° |
C1 | C2 | H2 | 121.6° | 121.1° |
C1 | C4 | N1 | 121.0° | 120.5° |
C1 | C4 | H1 | 119.5° | 119.8° |
C2 | C3 | O | 117.6° | 120.4° |
C2 | C3 | N | 123.1° | 119.3° |
C3 | C2 | H2 | 121.5° | 121.1° |
C4 | N1 | N | 122.5° | 122.4° |
N1 | C4 | H1 | 119.5° | 119.7° |
O | C3 | N | 119.3° | 120.3° |
C3 | N | N1 | 118.7° | 121.6° |
C3 | N | H3 | 120.6° | 119.2° |
N1 | N | H3 | 120.6° | 119.2° |
H4 | C | H5 | 109.5° | 109.4° |
H4 | C | H6 | 109.4° | 109.5° |
H5 | C | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C1 | C2 | C4 | 179.4° | 180.0° |
C | C1 | C2 | C3 | 179.3° | 180.0° |
C | C1 | C4 | N1 | 179.2° | 180.0° |
C | C1 | C4 | H1 | 0.8° | 0.0° |
C | C1 | C2 | H2 | 0.7° | 0.0° |
C1 | C | H4 | H5 | 120.0° | 120.0° |
C1 | C | H4 | H6 | 120.0° | 120.1° |
C1 | C | H5 | H6 | 120.0° | 120.1° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C2 | C1 | C4 | N1 | 0.2° | 0.0° |
C1 | C2 | C3 | O | 179.4° | 180.0° |
C1 | C2 | C3 | N | 0.2° | 0.0° |
C2 | C1 | C4 | H1 | 179.8° | 180.0° |
C2 | C1 | C | H4 | 180.0° | 90.1° |
C2 | C1 | C | H5 | 60.0° | 150.0° |
C2 | C1 | C | H6 | 60.0° | 30.0° |
C4 | C1 | C2 | C3 | 0.1° | 0.0° |
C1 | C4 | N1 | H1 | 180.0° | 180.0° |
C1 | C4 | N1 | N | 0.1° | 0.0° |
C4 | C1 | C2 | H2 | 179.9° | 180.0° |
C4 | C1 | C | H4 | 0.6° | 89.9° |
C4 | C1 | C | H5 | 120.6° | 30.0° |
C4 | C1 | C | H6 | 119.4° | 150.0° |
C2 | C3 | O | N | 179.6° | 180.0° |
C2 | C3 | N | N1 | 0.3° | 0.0° |
C2 | C3 | N | H3 | 179.7° | 179.9° |
C4 | N1 | N | C3 | 0.2° | 0.0° |
C4 | N1 | N | H3 | 179.8° | 179.9° |
O | C3 | N | N1 | 179.2° | 180.0° |
O | C3 | C2 | H2 | 0.6° | 0.0° |
O | C3 | N | H3 | 0.8° | 0.1° |
C3 | N | N1 | H3 | 180.0° | 179.9° |
N | C3 | C2 | H2 | 179.8° | 180.0° |
N | N1 | C4 | H1 | 179.9° | 180.0° |
H4 | C | H5 | H6 | 120.0° | 120.0° |