UC6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.47Å | |
O2 | C3 | sing | 1.43Å | 1.45Å | |
C3 | C4 | sing | 1.53Å | 1.48Å | |
C4 | O3 | sing | 1.43Å | 1.46Å | |
C4 | C5 | sing | 1.52Å | 1.51Å | |
C5 | O4 | doub | 1.21Å | 1.20Å | |
C5 | C6 | sing | 1.51Å | 1.52Å | |
C6 | O5 | sing | 1.43Å | 1.43Å | |
C2 | C6 | sing | 1.53Å | 1.54Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
O3 | H8 | sing | 0.97Å | 0.95Å | |
O5 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 117.6° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.0° |
O1 | C1 | H3 | 107.4° | 109.5° |
O1 | C1 | H2 | 107.4° | 109.5° |
C1 | C2 | O2 | 107.3° | 109.4° |
C1 | C2 | C6 | 112.0° | 109.5° |
C2 | C1 | H3 | 107.4° | 109.5° |
C2 | C1 | H2 | 107.4° | 109.5° |
C1 | C2 | H4 | 108.8° | 109.5° |
C2 | O2 | C3 | 118.9° | 114.4° |
O2 | C2 | C6 | 111.0° | 109.3° |
O2 | C2 | H4 | 109.2° | 109.5° |
O2 | C3 | C4 | 117.8° | 109.3° |
O2 | C3 | H5 | 107.4° | 109.5° |
O2 | C3 | H6 | 107.3° | 109.5° |
C3 | C4 | O3 | 119.1° | 109.7° |
C3 | C4 | C5 | 107.2° | 108.1° |
C3 | C4 | H7 | 108.4° | 109.8° |
C4 | C3 | H5 | 107.3° | 109.5° |
C4 | C3 | H6 | 107.3° | 109.5° |
O3 | C4 | C5 | 104.7° | 109.7° |
O3 | C4 | H7 | 108.8° | 109.8° |
C4 | O3 | H8 | 109.5° | 114.0° |
C4 | C5 | O4 | 120.3° | 121.2° |
C4 | C5 | C6 | 117.2° | 117.6° |
C5 | C4 | H7 | 108.1° | 109.7° |
O4 | C5 | C6 | 122.2° | 121.3° |
C5 | C6 | O5 | 108.0° | 109.7° |
C5 | C6 | C2 | 108.7° | 108.1° |
C5 | C6 | H9 | 108.7° | 109.8° |
O5 | C6 | C2 | 112.8° | 109.7° |
O5 | C6 | H9 | 110.0° | 109.7° |
C6 | O5 | H10 | 109.5° | 114.0° |
C2 | C6 | H9 | 108.5° | 109.8° |
C6 | C2 | H4 | 108.4° | 109.6° |
H3 | C1 | H2 | 109.5° | 109.4° |
H5 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H3 | 121.2° | 120.0° |
O1 | C1 | C2 | H2 | 121.2° | 120.0° |
O1 | C1 | C2 | O2 | 148.6° | 65.0° |
O1 | C1 | C2 | C6 | 26.5° | 175.2° |
O1 | C1 | H3 | H2 | 116.3° | 120.0° |
O1 | C1 | C2 | H4 | 93.3° | 55.0° |
C1 | C2 | O2 | C6 | 122.8° | 119.9° |
C1 | C2 | O2 | H4 | 117.8° | 120.0° |
C1 | C2 | O2 | C3 | 99.1° | 175.1° |
C1 | C2 | C6 | C5 | 148.6° | 172.2° |
C1 | C2 | C6 | O5 | 91.7° | 68.2° |
C1 | C2 | C6 | H4 | 120.0° | 120.1° |
C1 | C2 | C6 | H9 | 30.5° | 52.4° |
C2 | C1 | O1 | H1 | 180.0° | 180.0° |
C2 | C1 | H3 | H2 | 116.3° | 120.0° |
C2 | O2 | C3 | C4 | 52.4° | 65.0° |
O2 | C2 | C6 | C5 | 28.6° | 52.3° |
O2 | C2 | C6 | O5 | 148.3° | 171.9° |
O2 | C2 | C6 | H4 | 120.0° | 120.0° |
O2 | C2 | C6 | H9 | 89.5° | 67.4° |
O2 | C2 | C1 | H3 | 27.5° | 175.0° |
O2 | C2 | C1 | H2 | 90.2° | 55.0° |
C2 | O2 | C3 | H5 | 68.8° | 55.0° |
C2 | O2 | C3 | H6 | 173.6° | 175.1° |
O2 | C3 | C4 | H5 | 121.2° | 120.0° |
O2 | C3 | C4 | H6 | 121.2° | 119.9° |
O2 | C3 | C4 | O3 | 99.6° | 171.9° |
O2 | C3 | C4 | C5 | 18.9° | 52.3° |
C3 | O2 | C2 | C6 | 23.6° | 65.0° |
O2 | C3 | C4 | H7 | 135.4° | 67.4° |
C3 | O2 | C2 | H4 | 143.1° | 55.1° |
O2 | C3 | H5 | H6 | 116.2° | 120.1° |
C3 | C4 | O3 | C5 | 119.8° | 118.6° |
C3 | C4 | O3 | H7 | 124.8° | 120.8° |
C3 | C4 | C5 | H7 | 116.7° | 119.7° |
C3 | C4 | C5 | O4 | 137.3° | 131.6° |
C3 | C4 | C5 | C6 | 37.2° | 48.4° |
C4 | C3 | H5 | H6 | 116.2° | 120.1° |
C3 | C4 | O3 | H8 | 124.1° | 178.6° |
O3 | C4 | C5 | H7 | 115.8° | 120.7° |
O3 | C4 | C5 | O4 | 9.8° | 11.9° |
O3 | C4 | C5 | C6 | 164.6° | 168.1° |
O3 | C4 | C3 | H5 | 139.2° | 51.9° |
O3 | C4 | C3 | H6 | 21.6° | 68.2° |
C4 | C5 | O4 | C6 | 174.1° | 180.0° |
C4 | C5 | C6 | O5 | 174.2° | 168.1° |
C4 | C5 | C6 | C2 | 63.2° | 48.5° |
C4 | C5 | C6 | H9 | 54.9° | 71.3° |
C5 | C4 | C3 | H5 | 102.3° | 67.7° |
C5 | C4 | C3 | H6 | 140.0° | 172.2° |
C5 | C4 | O3 | H8 | 4.4° | 60.0° |
O4 | C5 | C6 | O5 | 11.5° | 12.0° |
O4 | C5 | C6 | C2 | 111.2° | 131.6° |
O4 | C5 | C4 | H7 | 106.0° | 108.7° |
O4 | C5 | C6 | H9 | 130.8° | 108.7° |
C5 | C6 | O5 | C2 | 120.2° | 118.6° |
C5 | C6 | O5 | H9 | 118.5° | 120.7° |
C5 | C6 | C2 | H9 | 118.1° | 119.8° |
C6 | C5 | C4 | H7 | 79.6° | 71.3° |
C5 | C6 | C2 | H4 | 91.4° | 67.7° |
C5 | C6 | O5 | H10 | 4.9° | 60.0° |
O5 | C6 | C2 | H9 | 122.2° | 120.6° |
O5 | C6 | C2 | H4 | 28.3° | 51.9° |
C6 | C2 | C1 | H3 | 94.7° | 55.3° |
C6 | C2 | C1 | H2 | 147.7° | 64.7° |
C2 | C6 | O5 | H10 | 115.2° | 178.7° |
H7 | C4 | C3 | H5 | 14.2° | 172.7° |
H7 | C4 | C3 | H6 | 103.4° | 52.5° |
H7 | C4 | O3 | H8 | 111.0° | 60.6° |
H9 | C6 | C2 | H4 | 150.5° | 172.6° |
H9 | C6 | O5 | H10 | 123.4° | 60.7° |
H1 | O1 | C1 | H3 | 58.8° | 60.0° |
H1 | O1 | C1 | H2 | 58.8° | 59.9° |
H3 | C1 | C2 | H4 | 145.5° | 64.9° |
H2 | C1 | C2 | H4 | 27.8° | 175.1° |