A1AL2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | N1 | sing | 1.42Å | 1.39Å | |
O10 | C4 | doub | 1.21Å | 1.26Å | |
O11 | C4 | sing | 1.34Å | 1.25Å | |
C4 | C3 | sing | 1.51Å | 1.53Å | |
C3 | C1 | sing | 1.53Å | 1.54Å | |
N1 | C7 | doub | 1.28Å | 1.27Å | |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C6 | S5 | sing | 1.81Å | 1.76Å | |
C1 | S5 | sing | 1.81Å | 1.78Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C2 | O9 | doub | 1.21Å | 1.26Å | |
C2 | O8 | sing | 1.34Å | 1.26Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
O2 | H7 | sing | 0.97Å | 0.95Å | |
O11 | H8 | sing | 0.97Å | 0.95Å | |
O8 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | N1 | C7 | 122.3° | 120.0° |
N1 | O2 | H7 | 109.5° | 114.0° |
O10 | C4 | O11 | 121.5° | 120.0° |
O10 | C4 | C3 | 120.3° | 120.0° |
O11 | C4 | C3 | 118.2° | 120.0° |
C4 | O11 | H8 | 109.5° | 117.0° |
C4 | C3 | C1 | 118.0° | 109.5° |
C4 | C3 | H2 | 107.3° | 109.5° |
C4 | C3 | H3 | 107.3° | 109.5° |
C3 | C1 | S5 | 111.1° | 109.5° |
C3 | C1 | C2 | 112.6° | 109.5° |
C3 | C1 | H1 | 109.0° | 109.4° |
C1 | C3 | H2 | 107.3° | 109.4° |
C1 | C3 | H3 | 107.3° | 109.4° |
N1 | C7 | C6 | 122.7° | 120.0° |
N1 | C7 | H6 | 118.6° | 120.0° |
C7 | C6 | S5 | 111.4° | 109.5° |
C7 | C6 | H4 | 109.0° | 109.4° |
C7 | C6 | H5 | 109.0° | 109.5° |
C6 | C7 | H6 | 118.6° | 120.0° |
C6 | S5 | C1 | 113.0° | 103.0° |
S5 | C6 | H4 | 109.0° | 109.5° |
S5 | C6 | H5 | 109.0° | 109.5° |
S5 | C1 | C2 | 108.1° | 109.4° |
S5 | C1 | H1 | 106.4° | 109.5° |
C1 | C2 | O9 | 118.0° | 120.0° |
C1 | C2 | O8 | 118.8° | 120.0° |
C2 | C1 | H1 | 109.4° | 109.5° |
O9 | C2 | O8 | 123.2° | 120.0° |
C2 | O8 | H9 | 109.5° | 117.1° |
H2 | C3 | H3 | 109.5° | 109.5° |
H4 | C6 | H5 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | N1 | C7 | C6 | 0.1° | 0.1° |
O2 | N1 | C7 | H6 | 179.9° | 180.0° |
O10 | C4 | O11 | C3 | 177.7° | 179.9° |
O10 | C4 | C3 | C1 | 97.5° | 0.1° |
O10 | C4 | C3 | H2 | 23.7° | 119.9° |
O10 | C4 | C3 | H3 | 141.2° | 120.0° |
O10 | C4 | O11 | H8 | 0.0° | 0.1° |
O11 | C4 | C3 | C1 | 84.7° | 179.9° |
O11 | C4 | C3 | H2 | 154.1° | 60.0° |
O11 | C4 | C3 | H3 | 36.5° | 60.1° |
C4 | C3 | C1 | H2 | 121.2° | 120.0° |
C4 | C3 | C1 | H3 | 121.2° | 120.0° |
C4 | C3 | C1 | S5 | 170.5° | 65.0° |
C4 | C3 | C1 | C2 | 49.0° | 175.0° |
C4 | C3 | C1 | H1 | 72.5° | 55.0° |
C4 | C3 | H2 | H3 | 116.1° | 120.0° |
C3 | C4 | O11 | H8 | 177.8° | 180.0° |
C3 | C1 | S5 | C6 | 44.8° | 175.0° |
C3 | C1 | S5 | C2 | 124.1° | 120.0° |
C3 | C1 | S5 | H1 | 118.6° | 120.0° |
C3 | C1 | C2 | H1 | 121.4° | 120.0° |
C3 | C1 | C2 | O9 | 99.0° | 130.0° |
C3 | C1 | C2 | O8 | 81.5° | 50.0° |
C1 | C3 | H2 | H3 | 116.2° | 120.0° |
N1 | C7 | C6 | H6 | 180.0° | 179.9° |
N1 | C7 | C6 | S5 | 163.7° | 124.9° |
N1 | C7 | C6 | H4 | 43.4° | 115.1° |
N1 | C7 | C6 | H5 | 76.0° | 4.9° |
C7 | N1 | O2 | H7 | 180.0° | 180.0° |
C7 | C6 | S5 | H4 | 120.3° | 120.0° |
C7 | C6 | S5 | H5 | 120.3° | 120.1° |
C7 | C6 | S5 | C1 | 173.2° | 180.0° |
C7 | C6 | H4 | H5 | 119.1° | 120.0° |
C6 | S5 | C1 | C2 | 168.9° | 65.0° |
C6 | S5 | C1 | H1 | 73.7° | 55.0° |
S5 | C6 | H4 | H5 | 119.1° | 120.0° |
S5 | C6 | C7 | H6 | 16.3° | 55.0° |
S5 | C1 | C2 | H1 | 115.5° | 120.0° |
S5 | C1 | C2 | O9 | 24.2° | 110.0° |
S5 | C1 | C2 | O8 | 155.3° | 70.0° |
S5 | C1 | C3 | H2 | 68.3° | 175.0° |
S5 | C1 | C3 | H3 | 49.3° | 55.0° |
C1 | S5 | C6 | H4 | 52.9° | 60.0° |
C1 | S5 | C6 | H5 | 66.5° | 60.0° |
C1 | C2 | O9 | O8 | 179.5° | 180.0° |
C2 | C1 | C3 | H2 | 170.2° | 55.0° |
C2 | C1 | C3 | H3 | 72.2° | 65.0° |
C1 | C2 | O8 | H9 | 179.5° | 180.0° |
O9 | C2 | C1 | H1 | 139.7° | 10.0° |
O9 | C2 | O8 | H9 | 0.0° | 0.0° |
O8 | C2 | C1 | H1 | 39.9° | 170.0° |
H1 | C1 | C3 | H2 | 48.7° | 65.0° |
H1 | C1 | C3 | H3 | 166.2° | 175.0° |
H4 | C6 | C7 | H6 | 136.6° | 65.0° |
H5 | C6 | C7 | H6 | 104.0° | 175.0° |