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COU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.41Å1.45ÅAromatic
C1O1doub1.22Å1.22Å
C1O2sing1.34Å1.40ÅAromatic
C2C3doub1.36Å1.36ÅAromatic
C2H2sing1.08Å1.10Å
C3C4sing1.47Å1.47ÅAromatic
C3H3sing1.08Å1.10Å
C4C5doub1.40Å1.43ÅAromatic
C4C9sing1.41Å1.42ÅAromatic
C5C6sing1.37Å1.40ÅAromatic
C5H5sing1.08Å1.10Å
C6C7doub1.39Å1.43ÅAromatic
C6H6sing1.08Å1.10Å
C7C8sing1.38Å1.42ÅAromatic
C7H7sing1.08Å1.10Å
C8C9doub1.39Å1.42ÅAromatic
C8H8sing1.08Å1.10Å
C9O2sing1.35Å1.42ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1125.5°119.2°
C2C1O2117.2°121.7°
C1C2C3121.9°119.8°
C1C2H2122.6°120.0°
O1C1O2117.3°119.1°
C1O2C9121.9°121.5°
C3C2H2115.6°120.1°
C2C3C4121.6°118.1°
C2C3H3115.0°120.9°
C4C3H3123.3°120.9°
C3C4C5124.9°121.0°
C3C4C9116.6°119.1°
C5C4C9118.5°119.9°
C4C5C6121.2°119.7°
C4C5H5120.3°120.1°
C4C9C8121.2°119.4°
C4C9O2120.8°119.8°
C6C5H5118.5°120.2°
C5C6C7119.7°120.5°
C5C6H6119.0°119.7°
C7C6H6121.3°119.8°
C6C7C8120.1°120.7°
C6C7H7120.5°119.6°
C8C7H7119.4°119.7°
C7C8C9119.3°119.8°
C7C8H8120.3°120.1°
C9C8H8120.5°120.1°
C8C9O2118.1°120.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1O2179.9°179.8°
C1C2C3H2180.0°179.5°
C1C2C3C40.1°0.5°
C1C2C3H3179.9°179.7°
C2C1O2C90.2°0.2°
O1C1C2C3179.7°179.8°
O1C1C2H20.3°0.2°
O1C1O2C9179.8°180.0°
O2C1C2C30.2°0.5°
O2C1C2H2179.7°180.0°
C1O2C9C40.0°0.1°
C1O2C9C8179.9°180.0°
C2C3C4H3180.0°179.8°
C2C3C4C5179.8°179.8°
C2C3C4C90.1°0.2°
H2C2C3C4179.8°180.0°
H2C2C3H30.1°0.2°
C3C4C5C9179.9°180.0°
C3C4C5C6179.9°180.0°
C3C4C5H50.2°0.0°
C3C4C9C8180.0°180.0°
C3C4C9O20.1°0.1°
H3C3C4C50.2°0.1°
H3C3C4C9179.9°180.0°
C4C5C6H5180.0°180.0°
C4C5C6C70.0°0.0°
C4C5C6H6180.0°NaN°
C5C4C9C80.1°0.0°
C5C4C9O2179.8°180.0°
C9C4C5C60.0°0.0°
C9C4C5H5180.0°180.0°
C4C9C8C70.2°0.0°
C4C9C8O2179.9°180.0°
C4C9C8H8179.8°180.0°
C5C6C7H6180.0°180.0°
C5C6C7C80.1°0.0°
C5C6C7H7179.9°180.0°
H5C5C6C7180.0°180.0°
H5C5C6H60.0°0.0°
C6C7C8H7180.0°180.0°
C6C7C8C90.2°0.0°
C6C7C8H8179.8°180.0°
H6C6C7C8179.9°180.0°
H6C6C7H70.1°0.0°
C7C8C9H8180.0°180.0°
C7C8C9O2179.7°180.0°
H7C7C8C9179.8°180.0°
H7C7C8H80.2°0.1°
H8C8C9O20.3°0.0°

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PDB entries from 2024-03-27

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