G9A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C5 | doub | 1.22Å | 1.22Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | C4 | sing | 1.51Å | 1.51Å | |
C3 | C2 | doub | 1.33Å | 1.33Å | |
C3 | C5 | sing | 1.47Å | 1.47Å | |
C5 | O3 | sing | 1.35Å | 1.33Å | |
C4 | O2 | doub | 1.21Å | 1.22Å | |
C4 | O1 | sing | 1.34Å | 1.33Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H5 | sing | 1.08Å | 1.08Å | |
O3 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C5 | C3 | 120.7° | 120.0° |
O4 | C5 | O3 | 119.1° | 120.0° |
C2 | C1 | C4 | 109.4° | 109.5° |
C1 | C2 | C3 | 120.0° | 120.0° |
C2 | C1 | H2 | 109.5° | 109.5° |
C2 | C1 | H3 | 109.5° | 109.5° |
C1 | C2 | H4 | 120.0° | 119.9° |
C1 | C4 | O2 | 120.5° | 119.9° |
C1 | C4 | O1 | 120.5° | 120.0° |
C4 | C1 | H2 | 109.5° | 109.5° |
C4 | C1 | H3 | 109.5° | 109.5° |
C2 | C3 | C5 | 120.0° | 120.0° |
C3 | C2 | H4 | 120.0° | 120.1° |
C2 | C3 | H5 | 120.0° | 120.1° |
C3 | C5 | O3 | 120.2° | 120.0° |
C5 | C3 | H5 | 120.0° | 120.0° |
C5 | O3 | H6 | 109.5° | 117.0° |
O2 | C4 | O1 | 119.0° | 120.0° |
C4 | O1 | H1 | 109.5° | 117.0° |
H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C5 | C3 | C2 | 81.2° | 0.0° |
O4 | C5 | C3 | O3 | 179.9° | 180.0° |
O4 | C5 | C3 | H5 | 98.8° | 180.0° |
O4 | C5 | O3 | H6 | 0.0° | 0.0° |
C2 | C1 | C4 | H2 | 120.0° | 120.0° |
C2 | C1 | C4 | H3 | 120.0° | 120.0° |
C1 | C2 | C3 | H4 | 180.0° | 180.0° |
C1 | C2 | C3 | C5 | 180.0° | 180.0° |
C2 | C1 | C4 | O2 | 96.7° | 0.0° |
C2 | C1 | C4 | O1 | 83.3° | 179.8° |
C2 | C1 | H2 | H3 | 120.0° | 120.0° |
C1 | C2 | C3 | H5 | 0.0° | 0.0° |
C4 | C1 | C2 | C3 | 101.8° | 125.0° |
C1 | C4 | O2 | O1 | 180.0° | 179.7° |
C1 | C4 | O1 | H1 | 180.0° | 179.7° |
C4 | C1 | H2 | H3 | 120.0° | 120.0° |
C4 | C1 | C2 | H4 | 78.2° | 55.0° |
C2 | C3 | C5 | H5 | 180.0° | 179.9° |
C2 | C3 | C5 | O3 | 98.8° | 180.0° |
C3 | C2 | C1 | H2 | 18.2° | 5.0° |
C3 | C2 | C1 | H3 | 138.2° | 115.0° |
C5 | C3 | C2 | H4 | 0.1° | 0.0° |
C3 | C5 | O3 | H6 | 180.0° | 180.0° |
O3 | C5 | C3 | H5 | 81.2° | 0.1° |
O2 | C4 | O1 | H1 | 0.0° | 0.0° |
O2 | C4 | C1 | H2 | 23.3° | 120.0° |
O2 | C4 | C1 | H3 | 143.3° | 120.0° |
O1 | C4 | C1 | H2 | 156.7° | 60.2° |
O1 | C4 | C1 | H3 | 36.7° | 59.7° |
H2 | C1 | C2 | H4 | 161.8° | 175.0° |
H3 | C1 | C2 | H4 | 41.8° | 65.0° |
H4 | C2 | C3 | H5 | 179.9° | 179.9° |