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A1H8H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.45Å
N1C2sing1.47Å1.45Å
C2N2sing1.47Å1.45Å
N2C3sing1.39Å1.33Å
C3N3doub1.28Å1.32Å
C1C4sing1.51Å1.52Å
C4O1doub1.21Å1.21Å
C4C5sing1.47Å1.49Å
C5C6doub1.40Å1.38ÅAromatic
C6C7sing1.38Å1.37ÅAromatic
C7C8doub1.39Å1.37ÅAromatic
C8C9sing1.39Å1.36ÅAromatic
C9C10doub1.38Å1.37ÅAromatic
C8F1sing1.35Å1.35Å
C6F2sing1.35Å1.35Å
N1N3sing1.40Å1.36Å
C5C10sing1.40Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C9H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
N2H5sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C2124.8°126.9°
N1C1C4111.4°109.5°
C1N1N3121.5°127.0°
N1C1H1109.0°109.5°
N1C1H2109.0°109.4°
N1C2N297.1°103.7°
C2N1N3113.7°106.1°
N1C2H3112.5°110.6°
N1C2H4112.5°110.7°
C2N2C3111.8°106.5°
N2C2H3112.5°110.6°
N2C2H4112.5°110.6°
C2N2H5124.1°126.7°
N2C3N3111.3°112.0°
N2C3H6124.3°124.0°
C3N2H5124.1°126.8°
C3N3N1105.6°111.6°
N3C3H6124.4°124.0°
C1C4O1119.8°120.0°
C1C4C5119.4°120.0°
C4C1H1109.0°109.5°
C4C1H2109.0°109.5°
O1C4C5120.8°120.0°
C4C5C6128.4°120.1°
C4C5C10115.5°120.2°
C5C6C7123.8°119.8°
C5C6F2119.9°120.1°
C6C5C10116.1°119.7°
C6C7C8116.7°120.1°
C7C6F2116.3°120.1°
C6C7H7121.6°119.9°
C7C8C9123.2°120.3°
C7C8F1118.3°119.8°
C8C7H7121.6°119.9°
C8C9C10118.0°120.3°
C9C8F1118.5°119.9°
C8C9H8121.0°119.8°
C9C10C5122.2°119.9°
C10C9H8121.0°119.9°
C9C10H9118.9°120.1°
C5C10H9118.9°120.0°
H1C1H2109.5°109.5°
H3C2H4109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C2N3179.9°180.0°
C1N1C2N2175.6°180.0°
C1N1N3C3173.0°180.0°
N1C1C4H1120.3°120.0°
N1C1C4H2120.3°119.9°
N1C1C4O110.5°0.1°
N1C1C4C5169.4°180.0°
N1C1H1H2119.1°120.0°
C1N1C2H357.7°61.4°
C1N1C2H466.4°61.4°
N1C2N2H3117.9°118.6°
N1C2N2H4117.9°118.7°
N1C2N2C30.1°0.0°
C2N1N3C37.0°0.0°
C2N1C1C4110.7°90.0°
C2N1C1H1129.0°30.0°
C2N1C1H29.6°150.0°
N1C2H3H4125.8°122.9°
N1C2N2H5179.9°180.0°
C2N2C3H5180.0°179.9°
C2N2C3N34.2°0.0°
N2C2N1N34.3°0.0°
N2C2H3H4125.8°122.8°
C2N2C3H6175.8°180.0°
N2C3N3H6180.0°179.9°
N2C3N3N16.7°0.0°
C3N2C2H3118.0°118.5°
C3N2C2H4117.9°118.7°
N3C3N2H5175.8°180.0°
C1C4O1C5179.9°179.9°
C1C4C5C641.4°180.0°
C4C1N1N369.3°90.0°
C1C4C5C10140.0°0.6°
C4C1H1H2119.1°120.0°
O1C4C5C6138.5°0.1°
O1C4C5C1040.1°179.4°
O1C4C1H1130.8°120.0°
O1C4C1H2109.8°120.0°
C4C5C6C10178.6°179.4°
C4C5C6C7179.4°180.0°
C4C5C10C9179.3°179.7°
C4C5C6F21.1°0.1°
C5C4C1H149.1°60.0°
C5C4C1H270.3°60.1°
C4C5C10H90.7°0.4°
C5C6C7F2179.6°179.9°
C5C6C7C80.6°0.6°
C6C5C10C90.5°0.4°
C5C6C7H7179.4°179.7°
C6C5C10H9179.5°179.8°
C6C7C8H7180.0°179.7°
C6C7C8C90.2°0.3°
C6C7C8F1179.8°179.7°
C7C6C5C100.8°0.6°
C7C8C9F1180.0°180.0°
C7C8C9C100.1°0.0°
C8C7C6F2179.8°179.5°
C7C8C9H8180.0°180.0°
C8C9C10H8180.0°180.0°
C8C9C10C50.1°0.1°
C9C8C7H7179.8°180.0°
C8C9C10H9179.9°179.9°
C10C9C8F1179.9°180.0°
C9C10C5H9180.0°179.8°
F1C8C7H70.1°0.0°
F1C8C9H80.1°0.0°
F2C6C5C10179.7°179.5°
F2C6C7H70.2°0.2°
N3N1C1H151.0°149.9°
N3N1C1H2170.5°29.9°
N3N1C2H3122.2°118.6°
N3N1C2H4113.6°118.7°
N1N3C3H6173.3°179.9°
C5C10C9H8179.9°179.9°
H3C2N2H562.0°61.4°
H4C2N2H562.1°61.3°
H6C3N2H54.2°0.1°
H8C9C10H90.1°0.1°

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PDB entries from 2024-07-17

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