OW4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | C09 | doub | 1.21Å | 1.26Å | |
C09 | O11 | sing | 1.35Å | 1.26Å | |
C09 | C07 | sing | 1.48Å | 1.52Å | |
C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
C08 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
N02 | C03 | sing | 1.40Å | 1.44Å | |
N02 | C01 | sing | 1.46Å | 1.45Å | |
C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
N02 | H8 | sing | 0.97Å | 1.00Å | |
O11 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C09 | O11 | 121.4° | 120.0° |
O10 | C09 | C07 | 120.3° | 120.0° |
O11 | C09 | C07 | 118.3° | 120.0° |
C09 | O11 | H9 | 109.5° | 117.0° |
C09 | C07 | C08 | 120.2° | 120.2° |
C09 | C07 | C06 | 118.7° | 120.1° |
C07 | C08 | C03 | 118.1° | 119.8° |
C08 | C07 | C06 | 121.2° | 119.8° |
C07 | C08 | H7 | 120.9° | 120.1° |
C08 | C03 | N02 | 120.5° | 120.0° |
C08 | C03 | C04 | 120.6° | 120.0° |
C03 | C08 | H7 | 121.0° | 120.1° |
C07 | C06 | C05 | 120.2° | 120.0° |
C07 | C06 | H6 | 119.9° | 120.0° |
C03 | N02 | C01 | 119.6° | 120.0° |
N02 | C03 | C04 | 118.8° | 120.0° |
C03 | N02 | H8 | 106.9° | 120.0° |
N02 | C01 | H1 | 109.5° | 109.5° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.5° |
C01 | N02 | H8 | 106.9° | 120.0° |
C03 | C04 | C05 | 121.0° | 120.2° |
C03 | C04 | H4 | 119.5° | 119.9° |
C06 | C05 | C04 | 118.8° | 120.2° |
C06 | C05 | H5 | 120.6° | 119.9° |
C05 | C06 | H6 | 120.0° | 120.0° |
C05 | C04 | H4 | 119.5° | 119.9° |
C04 | C05 | H5 | 120.6° | 119.9° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C09 | O11 | C07 | 179.9° | 179.9° |
O10 | C09 | C07 | C08 | 7.7° | 0.0° |
O10 | C09 | C07 | C06 | 173.3° | 180.0° |
O10 | C09 | O11 | H9 | 0.0° | 0.0° |
O11 | C09 | C07 | C08 | 172.4° | 179.9° |
O11 | C09 | C07 | C06 | 6.7° | 0.0° |
C09 | C07 | C08 | C06 | 179.1° | 179.9° |
C09 | C07 | C08 | C03 | 179.4° | 180.0° |
C09 | C07 | C06 | C05 | 179.8° | 180.0° |
C09 | C07 | C06 | H6 | 0.2° | 0.0° |
C09 | C07 | C08 | H7 | 0.6° | 0.1° |
C07 | C09 | O11 | H9 | 179.9° | 180.0° |
C07 | C08 | C03 | H7 | 180.0° | 179.9° |
C07 | C08 | C03 | N02 | 178.5° | 179.7° |
C07 | C08 | C03 | C04 | 2.2° | 0.0° |
C08 | C07 | C06 | C05 | 1.1° | 0.0° |
C08 | C07 | C06 | H6 | 178.9° | 179.9° |
C03 | C08 | C07 | C06 | 1.5° | 0.0° |
C08 | C03 | N02 | C04 | 176.3° | 179.7° |
C08 | C03 | N02 | C01 | 151.0° | 179.7° |
C08 | C03 | C04 | C05 | 2.6° | 0.0° |
C08 | C03 | C04 | H4 | 177.3° | 180.0° |
C08 | C03 | N02 | H8 | 29.6° | 0.3° |
C07 | C06 | C05 | H6 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 1.4° | 0.0° |
C07 | C06 | C05 | H5 | 178.6° | 180.0° |
C06 | C07 | C08 | H7 | 178.5° | 180.0° |
C03 | N02 | C01 | H8 | 121.4° | 180.0° |
N02 | C03 | C04 | C05 | 179.0° | 179.7° |
C03 | N02 | C01 | H1 | 180.0° | 60.1° |
C03 | N02 | C01 | H2 | 60.0° | 60.0° |
C03 | N02 | C01 | H3 | 60.0° | 180.0° |
N02 | C03 | C04 | H4 | 1.0° | 0.3° |
N02 | C03 | C08 | H7 | 1.5° | 0.2° |
C01 | N02 | C03 | C04 | 32.7° | 0.1° |
N02 | C01 | H1 | H2 | 120.0° | 120.1° |
N02 | C01 | H1 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
C03 | C04 | C05 | C06 | 2.2° | 0.0° |
C03 | C04 | C05 | H4 | 180.0° | 179.9° |
C03 | C04 | C05 | H5 | 177.8° | 179.9° |
C04 | C03 | C08 | H7 | 177.8° | 179.9° |
C04 | C03 | N02 | H8 | 154.1° | 180.0° |
C06 | C05 | C04 | H5 | 180.0° | 180.0° |
C06 | C05 | C04 | H4 | 177.8° | 180.0° |
C04 | C05 | C06 | H6 | 178.6° | 180.0° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H1 | C01 | N02 | H8 | 58.6° | 120.0° |
H2 | C01 | N02 | H8 | 178.6° | 120.0° |
H3 | C01 | N02 | H8 | 61.4° | 0.0° |
H4 | C04 | C05 | H5 | 2.2° | 0.0° |
H5 | C05 | C06 | H6 | 1.4° | 0.0° |