UV7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C1 | doub | 1.21Å | 1.22Å | |
N1 | C4 | sing | 1.35Å | 1.34Å | Aromatic |
N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
C4 | C3 | doub | 1.35Å | 1.41Å | Aromatic |
C | C1 | sing | 1.51Å | 1.50Å | |
C1 | N | sing | 1.35Å | 1.38Å | |
N2 | C5 | doub | 1.31Å | 1.38Å | Aromatic |
C3 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C2 | sing | 1.51Å | 1.49Å | |
N | C2 | sing | 1.47Å | 1.49Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
N | H4 | sing | 0.97Å | 1.00Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C | H6 | sing | 1.09Å | 1.10Å | |
C | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C1 | C | 121.0° | 120.0° |
O | C1 | N | 122.1° | 120.0° |
C4 | N1 | N2 | 107.2° | 107.9° |
N1 | C4 | C3 | 109.8° | 107.7° |
C4 | N1 | H1 | 126.4° | 126.0° |
N1 | C4 | H2 | 125.1° | 126.1° |
N1 | N2 | C5 | 111.1° | 108.2° |
N2 | N1 | H1 | 126.4° | 126.1° |
C4 | C3 | C5 | 106.0° | 107.9° |
C4 | C3 | C2 | 126.8° | 126.0° |
C3 | C4 | H2 | 125.1° | 126.1° |
C | C1 | N | 116.9° | 120.0° |
C1 | C | H5 | 109.5° | 109.5° |
C1 | C | H6 | 109.4° | 109.4° |
C1 | C | H7 | 109.5° | 109.5° |
C1 | N | C2 | 121.4° | 120.0° |
C1 | N | H4 | 119.3° | 120.0° |
N2 | C5 | C3 | 105.9° | 108.2° |
N2 | C5 | H3 | 127.1° | 125.9° |
C5 | C3 | C2 | 127.1° | 126.0° |
C3 | C5 | H3 | 127.1° | 125.9° |
C3 | C2 | N | 112.9° | 109.5° |
C3 | C2 | H8 | 108.6° | 109.4° |
C3 | C2 | H9 | 108.6° | 109.5° |
C2 | N | H4 | 119.3° | 120.0° |
N | C2 | H8 | 108.6° | 109.5° |
N | C2 | H9 | 108.6° | 109.5° |
H5 | C | H6 | 109.5° | 109.5° |
H5 | C | H7 | 109.4° | 109.5° |
H6 | C | H7 | 109.5° | 109.5° |
H8 | C2 | H9 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C1 | C | N | 178.3° | 179.9° |
O | C1 | N | C2 | 3.2° | 0.1° |
O | C1 | N | H4 | 176.8° | 179.9° |
O | C1 | C | H5 | 0.0° | 89.9° |
O | C1 | C | H6 | 120.0° | 150.1° |
O | C1 | C | H7 | 120.0° | 30.1° |
C4 | N1 | N2 | H1 | 180.0° | 179.7° |
N1 | C4 | C3 | H2 | 180.0° | 179.9° |
C4 | N1 | N2 | C5 | 0.8° | 0.0° |
N1 | C4 | C3 | C5 | 0.1° | 0.1° |
N1 | C4 | C3 | C2 | 178.6° | 180.0° |
N2 | N1 | C4 | C3 | 0.6° | 0.1° |
N1 | N2 | C5 | C3 | 0.7° | 0.0° |
N2 | N1 | C4 | H2 | 179.4° | 180.0° |
N1 | N2 | C5 | H3 | 179.4° | 180.0° |
C4 | C3 | C5 | N2 | 0.3° | 0.0° |
C4 | C3 | C5 | C2 | 178.4° | 180.0° |
C4 | C3 | C2 | N | 88.4° | 89.9° |
C3 | C4 | N1 | H1 | 179.4° | 179.8° |
C4 | C3 | C5 | H3 | 179.7° | 179.9° |
C4 | C3 | C2 | H8 | 32.1° | 30.0° |
C4 | C3 | C2 | H9 | 151.1° | 150.0° |
C | C1 | N | C2 | 178.5° | 180.0° |
C | C1 | N | H4 | 1.5° | 0.1° |
C1 | C | H5 | H6 | 120.0° | 120.0° |
C1 | C | H5 | H7 | 120.0° | 120.0° |
C1 | C | H6 | H7 | 120.0° | 120.0° |
C1 | N | C2 | C3 | 75.3° | 180.0° |
C1 | N | C2 | H4 | 180.0° | 179.9° |
N | C1 | C | H5 | 178.3° | 90.0° |
N | C1 | C | H6 | 61.7° | 30.1° |
N | C1 | C | H7 | 58.4° | 150.1° |
C1 | N | C2 | H8 | 45.2° | 60.1° |
C1 | N | C2 | H9 | 164.2° | 59.9° |
N2 | C5 | C3 | H3 | 180.0° | 180.0° |
N2 | C5 | C3 | C2 | 178.1° | 180.0° |
C5 | N2 | N1 | H1 | 179.2° | 179.7° |
C5 | C3 | C2 | N | 93.5° | 90.0° |
C5 | C3 | C4 | H2 | 179.9° | 180.0° |
C5 | C3 | C2 | H8 | 145.9° | 150.0° |
C5 | C3 | C2 | H9 | 27.0° | 30.0° |
C3 | C2 | N | H8 | 120.5° | 120.0° |
C3 | C2 | N | H9 | 120.5° | 120.0° |
C2 | C3 | C4 | H2 | 1.4° | 0.0° |
C2 | C3 | C5 | H3 | 1.9° | 0.0° |
C3 | C2 | N | H4 | 104.7° | 0.0° |
C3 | C2 | H8 | H9 | 118.4° | 120.0° |
N | C2 | H8 | H9 | 118.4° | 120.0° |
H1 | N1 | C4 | H2 | 0.6° | 0.3° |
H4 | N | C2 | H8 | 134.8° | 120.0° |
H4 | N | C2 | H9 | 15.9° | 120.0° |
H5 | C | H6 | H7 | 120.0° | 120.0° |