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4XH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C4sing1.36Å1.38ÅAromatic
C1C5doub1.39Å1.38ÅAromatic
C2C3doub1.37Å1.38ÅAromatic
C2C6sing1.39Å1.38ÅAromatic
C3C7sing1.41Å1.38ÅAromatic
C4C8doub1.41Å1.38ÅAromatic
C5C9sing1.36Å1.38ÅAromatic
C6N10doub1.31Å1.34ÅAromatic
C7C8sing1.42Å1.39ÅAromatic
C7C9doub1.41Å1.39ÅAromatic
C8N10sing1.34Å1.34ÅAromatic
C9BRsing1.89Å1.90Å
C1H1sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C1C5120.1°121.1°
C1C4C8122.0°119.7°
C4C1H1119.9°119.4°
C1C4H4119.0°120.1°
C1C5C9118.8°120.9°
C5C1H1119.9°119.5°
C1C5H5120.6°119.6°
C3C2C6117.0°119.9°
C2C3C7120.3°118.2°
C3C2H2121.5°120.0°
C2C3H3119.8°120.9°
C2C6N10124.6°121.8°
C6C2H2121.5°120.0°
C2C6H6117.7°119.1°
C3C7C8118.4°119.0°
C3C7C9120.9°121.4°
C7C3H3119.8°120.9°
C4C8C7117.5°119.1°
C4C8N10120.2°121.1°
C8C4H4119.0°120.1°
C5C9C7120.9°119.6°
C5C9BR117.5°120.2°
C9C5H5120.6°119.5°
C6N10C8117.3°121.3°
N10C6H6117.7°119.1°
C8C7C9120.6°119.5°
C7C8N10122.3°119.8°
C7C9BR121.5°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C1C5H1180.0°179.8°
C1C4C8H4180.0°180.0°
C4C1C5C90.4°0.1°
C1C4C8C70.6°0.0°
C1C4C8N10179.9°180.0°
C4C1C5H5179.6°180.0°
C5C1C4C80.0°0.0°
C1C5C9H5180.0°179.9°
C1C5C9C70.2°0.1°
C1C5C9BR179.1°180.0°
C5C1C4H4180.0°180.0°
C3C2C6H2180.0°179.8°
C2C3C7H3180.0°179.9°
C3C2C6N100.4°0.1°
C2C3C7C80.8°0.0°
C2C3C7C9179.2°180.0°
C3C2C6H6179.6°180.0°
C6C2C3C70.9°0.1°
C2C6N10H6180.0°180.0°
C2C6N10C80.2°0.0°
C6C2C3H3179.2°180.0°
C3C7C8C4179.3°180.0°
C3C7C9C5179.7°180.0°
C3C7C8C9179.9°180.0°
C3C7C8N100.2°0.0°
C3C7C9BR0.4°0.0°
C7C3C2H2179.1°179.9°
C4C8N10C6179.8°180.0°
C4C8C7N10179.5°180.0°
C4C8C7C90.7°0.0°
C8C4C1H1180.0°179.8°
C5C9C7C80.4°0.0°
C5C9C7BR179.3°180.0°
C9C5C1H1179.6°179.7°
C6N10C8C70.3°0.0°
N10C6C2H2179.6°179.9°
C8C7C9BR179.7°180.0°
C7C8C4H4179.4°180.0°
C8C7C3H3179.2°179.9°
C9C7C8N10179.8°180.0°
C7C9C5H5179.8°180.0°
C9C7C3H30.8°0.1°
N10C8C4H40.1°0.0°
C8N10C6H6179.8°180.0°
BRC9C5H50.9°0.0°
H1C1C4H40.0°0.2°
H1C1C5H50.4°0.2°
H2C2C3H30.9°0.2°
H2C2C6H60.4°0.1°

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PDB entries from 2024-08-07

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