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XNO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C7doub1.31Å1.34ÅAromatic
N1Ssing1.56Å1.62ÅAromatic
C7C8sing1.48Å1.46Å
C7C6sing1.39Å1.43ÅAromatic
C8C9doub1.32Å1.33Å
C8C12sing1.50Å1.50Å
N2C11sing1.47Å1.46Å
N2C12sing1.47Å1.46Å
N2C13sing1.47Å1.46Å
C9C10sing1.50Å1.50Å
C1C2sing1.53Å1.52Å
C1Csing1.53Å1.51Å
C5C4sing1.53Å1.51Å
C5Osing1.43Å1.45Å
C6Ndoub1.31Å1.30ÅAromatic
C6Osing1.36Å1.34Å
C4C3sing1.53Å1.52Å
C3C2sing1.53Å1.52Å
NSsing1.69Å1.62ÅAromatic
C10C11sing1.53Å1.52Å
C9H3sing1.08Å1.08Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C3H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C2H13sing1.09Å1.10Å
CH15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
CH17sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
C12H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C13H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7N1S106.3°109.0°
N1C7C8119.6°122.6°
N1C7C6112.2°114.9°
N1SN100.2°97.4°
C8C7C6128.2°122.5°
C7C8C9121.9°118.5°
C7C8C12119.5°118.5°
C7C6N114.8°112.5°
C7C6O121.8°123.7°
C9C8C12118.4°123.0°
C8C9C10124.7°122.7°
C8C9H3117.7°118.7°
C8C12N2110.8°110.2°
C8C12H22109.1°109.3°
C8C12H23109.1°109.3°
C11N2C12110.0°110.1°
C11N2C13110.5°111.0°
N2C11C10111.2°108.5°
N2C11H20109.0°109.6°
N2C11H21109.0°109.7°
C12N2C13110.1°111.0°
N2C12H22109.1°109.6°
N2C12H23109.1°109.2°
N2C13H24109.5°109.5°
N2C13H25109.5°109.5°
N2C13H26109.5°109.5°
C9C10C11112.5°109.7°
C10C9H3117.7°118.7°
C9C10H18108.7°109.4°
C9C10H19108.7°109.4°
C2C1C112.9°109.5°
C1C2C3114.0°109.4°
C2C1H4108.6°109.5°
C2C1H5108.6°109.5°
C1C2H12108.3°109.5°
C1C2H13108.3°109.5°
CC1H4108.6°109.4°
CC1H5108.6°109.5°
C1CH15109.5°109.5°
C1CH16109.5°109.5°
C1CH17109.4°109.5°
C4C5O108.9°109.5°
C5C4C3113.6°109.5°
C4C5H6109.6°109.5°
C4C5H7109.6°109.5°
C5C4H8108.4°109.5°
C5C4H9108.4°109.4°
C5OC6115.8°117.0°
OC5H6109.6°109.5°
OC5H7109.6°109.5°
NC6O123.4°123.7°
C6NS106.5°106.2°
C4C3C2113.6°109.4°
C3C4H8108.4°109.5°
C3C4H9108.4°109.5°
C4C3H10108.4°109.5°
C4C3H11108.4°109.5°
C2C3H10108.4°109.5°
C2C3H11108.4°109.4°
C3C2H12108.3°109.5°
C3C2H13108.3°109.5°
C11C10H18108.7°109.4°
C11C10H19108.7°109.5°
C10C11H20109.0°109.7°
C10C11H21109.1°109.5°
H4C1H5109.5°109.5°
H6C5H7109.5°109.4°
H8C4H9109.5°109.5°
H10C3H11109.5°109.5°
H12C2H13109.5°109.5°
H15CH16109.5°109.5°
H15CH17109.5°109.5°
H16CH17109.5°109.5°
H18C10H19109.5°109.4°
H20C11H21109.5°109.8°
H22C12H23109.5°109.2°
H24C13H25109.5°109.4°
H24C13H26109.5°109.5°
H25C13H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C7C8C6178.8°180.0°
N1C7C8C9136.3°6.0°
N1C7C8C1240.5°174.2°
N1C7C6N0.6°0.0°
N1C7C6O179.8°180.0°
C7N1SN0.2°0.1°
SN1C7C8179.5°179.9°
SN1C7C60.5°0.1°
N1SNC60.1°0.0°
C7C8C9C12176.8°179.7°
C7C8C12N2147.6°162.7°
C7C8C9C10175.4°179.7°
C8C7C6N179.5°180.0°
C8C7C6O1.3°0.0°
C7C8C9H34.6°0.3°
C7C8C12H2292.2°76.8°
C7C8C12H2327.4°42.7°
C6C7C8C942.5°174.0°
C6C7C8C12140.7°5.7°
C7C6OC5148.7°180.0°
C7C6NO179.1°180.0°
C7C6NS0.4°0.0°
C9C8C12N229.3°17.6°
C8C9C10H3180.0°180.0°
C8C9C10C113.5°16.5°
C8C9C10H18117.0°103.6°
C8C9C10H19123.9°136.6°
C9C8C12H2290.9°102.9°
C9C8C12H23149.5°137.6°
C8C12N2C1160.0°51.6°
C8C12N2H22120.2°120.3°
C8C12N2H23120.2°120.1°
C8C12N2C13177.9°174.8°
C12C8C9C101.4°0.6°
C12C8C9H3178.6°179.4°
C8C12H22H23119.4°119.6°
C11N2C12C13122.1°123.2°
N2C11C10C933.4°49.2°
N2C11C10H20120.2°119.8°
N2C11C10H21120.2°119.7°
N2C11C10H1887.0°70.9°
N2C11C10H19153.8°169.3°
N2C11H20H21119.2°120.5°
C11N2C12H2260.2°68.7°
C11N2C12H23179.8°171.7°
C11N2C13H24180.0°64.0°
C11N2C13H2560.0°176.0°
C11N2C13H2660.0°56.0°
C12N2C11C1062.8°69.5°
C12N2C11H2057.5°50.3°
C12N2C11H21177.0°170.9°
N2C12H22H23119.4°119.6°
C12N2C13H2458.2°58.8°
C12N2C13H25178.2°61.2°
C12N2C13H2661.8°178.8°
C13N2C11C10175.4°167.3°
C13N2C11H2064.4°72.9°
C13N2C11H2155.1°47.7°
C13N2C12H2261.9°54.5°
C13N2C12H2357.7°65.1°
N2C13H24H25120.0°120.0°
N2C13H24H26120.0°120.0°
N2C13H25H26120.0°120.0°
C9C10C11H18120.4°120.0°
C9C10C11H19120.4°120.1°
C9C10H18H19118.6°119.8°
C9C10C11H2086.8°70.6°
C9C10C11H21153.6°168.8°
C2C1CH4120.5°120.0°
C2C1CH5120.5°120.0°
C1C2C3C4157.9°180.0°
C1C2C3H12120.7°120.0°
C1C2C3H13120.7°120.0°
C2C1H4H5118.4°120.1°
C1C2C3H1081.5°60.0°
C1C2C3H1137.3°60.0°
C1C2H12H13117.9°120.0°
C2C1CH15180.0°60.0°
C2C1CH1660.0°180.0°
C2C1CH1760.0°60.0°
CC1C2C3175.0°180.0°
CC1H4H5118.4°119.9°
CC1C2H1264.3°60.0°
CC1C2H1354.3°60.0°
C1CH15H16120.0°120.0°
C1CH15H17120.0°120.0°
C1CH16H17120.0°120.0°
C4C5OH6119.9°120.0°
C4C5OH7119.9°120.0°
C4C5OC6106.6°180.0°
C5C4C3H8120.6°120.0°
C5C4C3H9120.6°119.9°
C5C4C3C2161.2°180.0°
C4C5H6H7120.3°119.9°
C5C4H8H9118.1°120.0°
C5C4C3H1078.1°60.0°
C5C4C3H1140.6°60.1°
C5OC6N30.4°0.0°
OC5C4C347.5°180.0°
OC5H6H7120.3°120.0°
OC5C4H873.1°60.0°
OC5C4H9168.1°60.0°
OC6NS179.6°180.0°
C6OC5H6133.5°60.0°
C6OC5H713.4°60.0°
C4C3C2H10120.6°120.0°
C4C3C2H11120.6°119.9°
C3C4C5H672.4°60.0°
C3C4C5H7167.5°59.9°
C3C4H8H9118.1°120.0°
C4C3H10H11118.1°120.0°
C4C3C2H1281.4°60.1°
C4C3C2H1337.2°60.0°
C3C2C1H464.5°60.0°
C3C2C1H554.4°60.0°
C2C3C4H840.6°60.0°
C2C3C4H978.2°60.1°
C2C3H10H11118.1°120.0°
C3C2H12H13117.9°120.1°
C11C10C9H3176.5°163.5°
C11C10H18H19118.6°119.9°
C10C11H20H21119.3°120.4°
H3C9C10H1863.0°76.4°
H3C9C10H1956.1°43.4°
H4C1C2H1256.2°60.0°
H4C1C2H13174.8°180.0°
H4C1CH1559.5°60.1°
H4C1CH16179.5°60.0°
H4C1CH1760.5°180.0°
H5C1C2H12175.1°180.0°
H5C1C2H1366.2°60.0°
H5C1CH1559.5°180.0°
H5C1CH1660.5°59.9°
H5C1CH17179.5°60.0°
H6C5C4H8167.0°60.0°
H6C5C4H948.2°179.9°
H7C5C4H846.8°179.9°
H7C5C4H971.9°60.0°
H8C4C3H10161.3°180.0°
H8C4C3H1180.0°59.9°
H9C4C3H1042.5°60.0°
H9C4C3H11161.2°180.0°
H10C3C2H1239.2°60.0°
H10C3C2H13157.9°180.0°
H11C3C2H12158.0°180.0°
H11C3C2H1383.4°60.0°
H15CH16H17120.0°120.0°
H18C10C11H20152.7°169.4°
H18C10C11H2133.2°48.8°
H19C10C11H2033.6°49.5°
H19C10C11H2185.9°71.1°
H24C13H25H26120.0°120.0°

221051

PDB entries from 2024-06-12

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