T5Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | sing | 1.36Å | 1.35Å | |
C | C1 | sing | 1.39Å | 1.41Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | N | sing | 1.32Å | 1.35Å | Aromatic |
N | C | doub | 1.32Å | 1.37Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
O | H | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C1 | 117.8° | 119.6° |
O | C | N | 117.6° | 119.7° |
C | O | H | 109.5° | 114.0° |
C | C1 | C2 | 116.8° | 119.0° |
C1 | C | N | 124.6° | 120.6° |
C | C1 | H1 | 121.6° | 120.5° |
C1 | C2 | C3 | 120.2° | 118.5° |
C2 | C1 | H1 | 121.6° | 120.5° |
C1 | C2 | H2 | 119.9° | 120.7° |
C2 | C3 | C4 | 118.7° | 119.3° |
C3 | C2 | H2 | 119.9° | 120.8° |
C2 | C3 | H3 | 120.7° | 120.4° |
C3 | C4 | N | 123.5° | 120.8° |
C3 | C4 | H4 | 118.2° | 119.6° |
C4 | C3 | H3 | 120.6° | 120.3° |
C4 | N | C | 116.2° | 121.7° |
N | C4 | H4 | 118.2° | 119.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C1 | N | 178.6° | 180.0° |
O | C | C1 | C2 | 178.4° | 180.0° |
O | C | N | C4 | 178.2° | 180.0° |
O | C | C1 | H1 | 1.6° | 0.0° |
C | C1 | C2 | H1 | 180.0° | 179.9° |
C | C1 | C2 | C3 | 0.2° | 0.3° |
C1 | C | N | C4 | 0.4° | 0.0° |
C1 | C | O | H | 178.7° | 90.0° |
C | C1 | C2 | H2 | 179.8° | 180.0° |
C1 | C2 | C3 | H2 | 180.0° | 179.7° |
C1 | C2 | C3 | C4 | 0.3° | 0.6° |
C2 | C1 | C | N | 0.2° | 0.0° |
C1 | C2 | C3 | H3 | 179.7° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.4° |
C2 | C3 | C4 | N | 0.0° | 0.6° |
C2 | C3 | C4 | H4 | 180.0° | 179.7° |
C3 | C2 | C1 | H1 | 179.8° | 179.7° |
C3 | C4 | N | H4 | 180.0° | 179.7° |
C3 | C4 | N | C | 0.3° | 0.3° |
C4 | C3 | C2 | H2 | 179.7° | 179.7° |
N | C4 | C3 | H3 | 180.0° | 180.0° |
C | N | C4 | H4 | 179.7° | 180.0° |
N | C | O | H | 0.0° | 90.0° |
N | C | C1 | H1 | 179.9° | 180.0° |
H4 | C4 | C3 | H3 | 0.0° | 0.3° |
H1 | C1 | C2 | H2 | 0.2° | 0.0° |
H2 | C2 | C3 | H3 | 0.2° | 0.3° |