7A2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.25Å | |
O1 | C | sing | 1.34Å | 1.26Å | |
O7 | C5 | doub | 1.21Å | 1.24Å | |
C | C1 | sing | 1.51Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C5 | O6 | sing | 1.34Å | 1.25Å | |
C5 | C4 | sing | 1.51Å | 1.53Å | |
O2 | C2 | sing | 1.43Å | 1.42Å | |
C2 | C4 | sing | 1.53Å | 1.55Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C4 | O5 | sing | 1.43Å | 1.42Å | |
C3 | O4 | doub | 1.21Å | 1.25Å | |
C3 | O3 | sing | 1.34Å | 1.24Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
O2 | H4 | sing | 0.97Å | 0.95Å | |
O3 | H5 | sing | 0.97Å | 0.95Å | |
O5 | H6 | sing | 0.97Å | 0.95Å | |
O6 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | O1 | 123.2° | 120.0° |
O | C | C1 | 123.2° | 120.0° |
O1 | C | C1 | 113.6° | 120.0° |
C | O1 | H1 | 109.5° | 117.0° |
O7 | C5 | O6 | 123.6° | 120.0° |
O7 | C5 | C4 | 113.4° | 120.0° |
C | C1 | C2 | 113.2° | 109.5° |
C | C1 | H2 | 108.5° | 109.5° |
C | C1 | H3 | 108.5° | 109.4° |
C1 | C2 | O2 | 110.6° | 109.4° |
C1 | C2 | C4 | 114.6° | 109.5° |
C1 | C2 | C3 | 101.9° | 109.5° |
C2 | C1 | H2 | 108.5° | 109.5° |
C2 | C1 | H3 | 108.5° | 109.5° |
O6 | C5 | C4 | 123.0° | 120.0° |
C5 | O6 | H7 | 109.5° | 117.0° |
C5 | C4 | C2 | 113.9° | 109.5° |
C5 | C4 | O5 | 108.5° | 109.5° |
C5 | C4 | H | 109.0° | 109.5° |
O2 | C2 | C4 | 111.3° | 109.5° |
O2 | C2 | C3 | 109.8° | 109.4° |
C2 | O2 | H4 | 109.5° | 114.0° |
C4 | C2 | C3 | 108.2° | 109.5° |
C2 | C4 | O5 | 106.3° | 109.5° |
C2 | C4 | H | 108.7° | 109.4° |
C2 | C3 | O4 | 114.5° | 120.0° |
C2 | C3 | O3 | 121.9° | 120.0° |
O5 | C4 | H | 110.5° | 109.4° |
C4 | O5 | H6 | 109.5° | 113.9° |
O4 | C3 | O3 | 123.6° | 120.0° |
C3 | O3 | H5 | 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) |
O | C | O1 | C1 | 179.1° | 179.7° |
O | C | C1 | C2 | 135.6° | 0.0° |
O | C | C1 | H2 | 15.0° | 120.0° |
O | C | C1 | H3 | 103.8° | 120.0° |
O | C | O1 | H1 | 0.0° | 0.3° |
O1 | C | C1 | C2 | 45.3° | 179.7° |
O1 | C | C1 | H2 | 165.8° | 59.7° |
O1 | C | C1 | H3 | 75.3° | 60.3° |
O7 | C5 | O6 | C4 | 178.4° | 180.0° |
O7 | C5 | C4 | C2 | 49.7° | 115.0° |
O7 | C5 | C4 | O5 | 68.4° | 5.0° |
O7 | C5 | C4 | H | 171.3° | 125.0° |
O7 | C5 | O6 | H7 | 0.0° | 0.0° |
C | C1 | C2 | H2 | 120.6° | 120.0° |
C | C1 | C2 | H3 | 120.6° | 120.0° |
C | C1 | C2 | O2 | 61.7° | 60.0° |
C | C1 | C2 | C4 | 171.6° | 180.0° |
C | C1 | C2 | C3 | 54.9° | 60.0° |
C | C1 | H2 | H3 | 118.3° | 120.0° |
C1 | C | O1 | H1 | 179.1° | 180.0° |
C1 | C2 | C4 | C5 | 52.1° | 180.0° |
C1 | C2 | O2 | C4 | 128.5° | 120.0° |
C1 | C2 | O2 | C3 | 111.6° | 120.0° |
C1 | C2 | C4 | C3 | 112.9° | 120.0° |
C1 | C2 | C4 | O5 | 67.2° | 60.0° |
C1 | C2 | C3 | O4 | 117.1° | 120.0° |
C1 | C2 | C3 | O3 | 61.9° | 60.0° |
C2 | C1 | H2 | H3 | 118.3° | 120.0° |
C1 | C2 | C4 | H | 173.9° | 60.0° |
C1 | C2 | O2 | H4 | 111.5° | 60.1° |
O6 | C5 | C4 | C2 | 131.7° | 65.0° |
O6 | C5 | C4 | O5 | 110.2° | 175.0° |
O6 | C5 | C4 | H | 10.1° | 55.0° |
C5 | C4 | C2 | O2 | 74.2° | 60.0° |
C5 | C4 | C2 | O5 | 119.3° | 120.0° |
C5 | C4 | C2 | H | 121.7° | 120.0° |
C5 | C4 | C2 | C3 | 165.0° | 60.0° |
C5 | C4 | O5 | H | 119.4° | 120.0° |
C5 | C4 | O5 | H6 | 27.3° | 60.0° |
C4 | C5 | O6 | H7 | 178.4° | 180.0° |
O2 | C2 | C4 | C3 | 120.8° | 120.0° |
O2 | C2 | C4 | O5 | 166.4° | 60.0° |
O2 | C2 | C3 | O4 | 0.1° | 0.0° |
O2 | C2 | C3 | O3 | 179.1° | 180.0° |
O2 | C2 | C1 | H2 | 177.7° | 180.0° |
O2 | C2 | C1 | H3 | 58.8° | 60.0° |
O2 | C2 | C4 | H | 47.5° | 180.0° |
C2 | C4 | O5 | H | 117.7° | 120.0° |
C4 | C2 | C3 | O4 | 121.8° | 120.0° |
C4 | C2 | C3 | O3 | 59.3° | 60.0° |
C4 | C2 | C1 | H2 | 51.0° | 60.0° |
C4 | C2 | C1 | H3 | 67.9° | 60.0° |
C4 | C2 | O2 | H4 | 119.9° | 60.0° |
C2 | C4 | O5 | H6 | 95.5° | 60.0° |
C3 | C2 | C4 | O5 | 45.7° | 180.0° |
C2 | C3 | O4 | O3 | 178.9° | 180.0° |
C3 | C2 | C1 | H2 | 65.6° | 60.0° |
C3 | C2 | C1 | H3 | 175.5° | 180.0° |
C3 | C2 | C4 | H | 73.2° | 60.0° |
C3 | C2 | O2 | H4 | 0.1° | 180.0° |
C2 | C3 | O3 | H5 | 178.8° | 180.0° |
O4 | C3 | O3 | H5 | 0.0° | 0.0° |
H | C4 | O5 | H6 | 146.7° | 180.0° |