8RU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C04 | sing | 1.53Å | 1.52Å | |
C04 | C03 | sing | 1.51Å | 1.54Å | |
C05 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C05 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
O01 | C07 | sing | 1.36Å | 1.39Å | |
C03 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
C07 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
C06 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.36Å | Aromatic |
C10 | O02 | sing | 1.36Å | 1.38Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
O02 | H2 | sing | 0.97Å | 0.95Å | |
C04 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C04 | C03 | 117.4° | 109.5° |
C08 | C04 | H3 | 107.5° | 109.4° |
C08 | C04 | H4 | 107.4° | 109.5° |
C04 | C08 | H7 | 109.5° | 109.4° |
C04 | C08 | H8 | 109.5° | 109.5° |
C04 | C08 | H9 | 109.5° | 109.5° |
C04 | C03 | C05 | 124.8° | 120.0° |
C04 | C03 | C06 | 118.3° | 119.9° |
C03 | C04 | H3 | 107.4° | 109.5° |
C03 | C04 | H4 | 107.5° | 109.5° |
C03 | C05 | C07 | 120.7° | 120.0° |
C05 | C03 | C06 | 116.8° | 120.1° |
C03 | C05 | H5 | 119.7° | 120.0° |
C05 | C07 | O01 | 121.4° | 120.1° |
C05 | C07 | C10 | 121.2° | 119.8° |
C07 | C05 | H5 | 119.7° | 120.0° |
O01 | C07 | C10 | 117.5° | 120.1° |
C07 | O01 | H1 | 109.5° | 114.0° |
C03 | C06 | C09 | 122.8° | 120.1° |
C03 | C06 | H6 | 118.6° | 119.9° |
C07 | C10 | C09 | 119.7° | 119.9° |
C07 | C10 | O02 | 118.5° | 120.1° |
C06 | C09 | C10 | 118.9° | 120.0° |
C09 | C06 | H6 | 118.6° | 119.9° |
C06 | C09 | H10 | 120.6° | 120.0° |
C09 | C10 | O02 | 121.7° | 120.0° |
C10 | C09 | H10 | 120.6° | 120.0° |
C10 | O02 | H2 | 109.5° | 114.0° |
H3 | C04 | H4 | 109.5° | 109.5° |
H7 | C08 | H8 | 109.5° | 109.4° |
H7 | C08 | H9 | 109.5° | 109.5° |
H8 | C08 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C04 | C03 | H3 | 121.1° | 120.0° |
C08 | C04 | C03 | H4 | 121.1° | 120.0° |
C08 | C04 | C03 | C05 | 0.5° | 89.7° |
C08 | C04 | C03 | C06 | 179.4° | 90.0° |
C08 | C04 | H3 | H4 | 116.4° | 119.9° |
C04 | C08 | H7 | H8 | 120.0° | 120.0° |
C04 | C08 | H7 | H9 | 120.0° | 120.0° |
C04 | C08 | H8 | H9 | 120.0° | 120.1° |
C04 | C03 | C05 | C06 | 179.9° | 179.7° |
C04 | C03 | C05 | C07 | 179.5° | 179.7° |
C04 | C03 | C06 | C09 | 179.9° | 180.0° |
C03 | C04 | H3 | H4 | 116.4° | 120.1° |
C04 | C03 | C05 | H5 | 0.5° | 0.3° |
C04 | C03 | C06 | H6 | 0.1° | 0.0° |
C03 | C04 | C08 | H7 | 180.0° | 60.0° |
C03 | C04 | C08 | H8 | 60.0° | 59.9° |
C03 | C04 | C08 | H9 | 60.0° | 180.0° |
C03 | C05 | C07 | H5 | 180.0° | 180.0° |
C03 | C05 | C07 | O01 | 177.3° | 179.9° |
C03 | C05 | C07 | C10 | 1.2° | 0.1° |
C05 | C03 | C06 | C09 | 0.1° | 0.3° |
C05 | C03 | C04 | H3 | 121.6° | 30.3° |
C05 | C03 | C04 | H4 | 120.6° | 150.3° |
C05 | C03 | C06 | H6 | 179.9° | 179.7° |
C05 | C07 | O01 | C10 | 178.5° | 179.9° |
C07 | C05 | C03 | C06 | 0.4° | 0.0° |
C05 | C07 | C10 | C09 | 1.5° | 0.2° |
C05 | C07 | C10 | O02 | 178.7° | 180.0° |
C05 | C07 | O01 | H1 | 180.0° | 90.1° |
O01 | C07 | C10 | C09 | 177.0° | 179.7° |
O01 | C07 | C10 | O02 | 0.2° | 0.1° |
O01 | C07 | C05 | H5 | 2.7° | 0.1° |
C03 | C06 | C09 | H6 | 180.0° | 180.0° |
C03 | C06 | C09 | C10 | 0.2° | 0.5° |
C06 | C03 | C04 | H3 | 58.3° | 150.0° |
C06 | C03 | C04 | H4 | 59.5° | 30.0° |
C06 | C03 | C05 | H5 | 179.6° | 180.0° |
C03 | C06 | C09 | H10 | 179.8° | 180.0° |
C07 | C10 | C09 | C06 | 1.0° | 0.5° |
C07 | C10 | C09 | O02 | 177.1° | 179.8° |
C10 | C07 | O01 | H1 | 1.4° | 90.0° |
C07 | C10 | O02 | H2 | 180.0° | 90.0° |
C10 | C07 | C05 | H5 | 178.8° | 180.0° |
C07 | C10 | C09 | H10 | 179.0° | 180.0° |
C06 | C09 | C10 | H10 | 180.0° | 179.5° |
C06 | C09 | C10 | O02 | 178.2° | 179.8° |
C09 | C10 | O02 | H2 | 2.9° | 90.3° |
C10 | C09 | C06 | H6 | 179.8° | 179.5° |
O02 | C10 | C09 | H10 | 1.8° | 0.2° |
H3 | C04 | C08 | H7 | 58.9° | 180.0° |
H3 | C04 | C08 | H8 | 61.1° | 60.0° |
H3 | C04 | C08 | H9 | 178.9° | 60.0° |
H4 | C04 | C08 | H7 | 58.9° | 60.1° |
H4 | C04 | C08 | H8 | 178.9° | 180.0° |
H4 | C04 | C08 | H9 | 61.1° | 59.9° |
H6 | C06 | C09 | H10 | 0.2° | 0.0° |
H7 | C08 | H8 | H9 | 120.0° | 120.0° |