IJ8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | sing | 1.43Å | 1.40Å | |
C03 | C02 | sing | 1.55Å | 1.55Å | |
C03 | O04 | sing | 1.44Å | 1.41Å | |
C02 | C06 | sing | 1.55Å | 1.56Å | |
O04 | C05 | sing | 1.44Å | 1.43Å | |
C05 | C06 | sing | 1.54Å | 1.55Å | |
C06 | O07 | sing | 1.43Å | 1.40Å | |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.09Å | 1.10Å | |
O01 | H7 | sing | 0.97Å | 0.95Å | |
O07 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | C03 | 110.5° | 110.6° |
O01 | C02 | C06 | 107.8° | 110.5° |
O01 | C02 | H1 | 113.7° | 110.5° |
C02 | O01 | H7 | 109.5° | 114.0° |
C02 | C03 | O04 | 103.6° | 104.8° |
C03 | C02 | C06 | 101.7° | 104.1° |
C03 | C02 | H1 | 111.3° | 110.5° |
C02 | C03 | H2 | 110.9° | 110.4° |
C02 | C03 | H3 | 110.9° | 110.4° |
C03 | O04 | C05 | 108.3° | 105.3° |
O04 | C03 | H2 | 110.9° | 110.4° |
O04 | C03 | H3 | 110.9° | 110.4° |
C02 | C06 | C05 | 103.6° | 104.1° |
C02 | C06 | O07 | 106.9° | 110.5° |
C06 | C02 | H1 | 111.1° | 110.5° |
C02 | C06 | H6 | 111.9° | 110.5° |
O04 | C05 | C06 | 106.4° | 104.8° |
O04 | C05 | H4 | 110.2° | 110.4° |
O04 | C05 | H5 | 110.2° | 110.4° |
C05 | C06 | O07 | 107.1° | 110.5° |
C06 | C05 | H4 | 110.2° | 110.4° |
C06 | C05 | H5 | 110.2° | 110.4° |
C05 | C06 | H6 | 112.0° | 110.5° |
O07 | C06 | H6 | 114.6° | 110.6° |
C06 | O07 | H8 | 109.5° | 114.0° |
H2 | C03 | H3 | 109.5° | 110.4° |
H4 | C05 | H5 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | C03 | C06 | 114.2° | 118.7° |
O01 | C02 | C03 | H1 | 127.3° | 122.6° |
O01 | C02 | C03 | O04 | 77.5° | 142.7° |
O01 | C02 | C06 | H1 | 125.2° | 122.6° |
O01 | C02 | C06 | C05 | 96.8° | 118.8° |
O01 | C02 | C06 | O07 | 16.1° | 0.1° |
O01 | C02 | C03 | H2 | 41.5° | 23.9° |
O01 | C02 | C03 | H3 | 163.4° | 98.5° |
O01 | C02 | C06 | H6 | 142.4° | 122.6° |
C02 | C03 | O04 | H2 | 119.1° | 118.8° |
C02 | C03 | O04 | H3 | 119.1° | 118.8° |
C03 | C02 | C06 | H1 | 118.6° | 118.6° |
C02 | C03 | O04 | C05 | 41.4° | 40.5° |
C03 | C02 | C06 | C05 | 19.5° | 0.0° |
C03 | C02 | C06 | O07 | 132.4° | 118.6° |
C02 | C03 | H2 | H3 | 122.7° | 122.3° |
C03 | C02 | C06 | H6 | 101.4° | 118.6° |
C03 | C02 | O01 | H7 | 180.0° | 65.3° |
O04 | C03 | C02 | C06 | 36.7° | 24.0° |
C03 | O04 | C05 | C06 | 28.3° | 40.5° |
O04 | C03 | C02 | H1 | 155.1° | 94.7° |
O04 | C03 | H2 | H3 | 122.7° | 122.4° |
C03 | O04 | C05 | H4 | 147.8° | 159.4° |
C03 | O04 | C05 | H5 | 91.2° | 78.4° |
C02 | C06 | C05 | O04 | 3.4° | 24.0° |
C02 | C06 | C05 | O07 | 112.8° | 118.6° |
C02 | C06 | C05 | H6 | 120.8° | 118.6° |
C02 | C06 | O07 | H6 | 124.6° | 122.7° |
C06 | C02 | C03 | H2 | 155.7° | 94.8° |
C06 | C02 | C03 | H3 | 82.4° | 142.8° |
C02 | C06 | C05 | H4 | 122.9° | 142.8° |
C02 | C06 | C05 | H5 | 116.1° | 95.0° |
C06 | C02 | O01 | H7 | 69.6° | 180.0° |
C02 | C06 | O07 | H8 | 180.0° | 180.0° |
O04 | C05 | C06 | H4 | 119.5° | 118.9° |
O04 | C05 | C06 | H5 | 119.5° | 118.9° |
O04 | C05 | C06 | O07 | 109.4° | 142.6° |
C05 | O04 | C03 | H2 | 160.4° | 78.3° |
C05 | O04 | C03 | H3 | 77.7° | 159.3° |
O04 | C05 | H4 | H5 | 121.4° | 122.3° |
O04 | C05 | C06 | H6 | 124.1° | 94.7° |
C05 | C06 | O07 | H6 | 124.9° | 122.7° |
C05 | C06 | C02 | H1 | 138.0° | 118.6° |
C06 | C05 | H4 | H5 | 121.4° | 122.3° |
C05 | C06 | O07 | H8 | 69.5° | 65.4° |
O07 | C06 | C02 | H1 | 109.0° | 122.7° |
O07 | C06 | C05 | H4 | 10.1° | 98.6° |
O07 | C06 | C05 | H5 | 131.0° | 23.7° |
H1 | C02 | C03 | H2 | 85.8° | 146.5° |
H1 | C02 | C03 | H3 | 36.1° | 24.1° |
H1 | C02 | C06 | H6 | 17.2° | 0.0° |
H1 | C02 | O01 | H7 | 54.0° | 57.4° |
H4 | C05 | C06 | H6 | 116.3° | 24.2° |
H5 | C05 | C06 | H6 | 4.6° | 146.4° |
H6 | C06 | O07 | H8 | 55.4° | 57.3° |