National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.4. (XII.A.4.)

List of experimental bond angles of type aCNC

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aCNC C2H5N Aziridine 60.25
aCNC C3H7N Azetidine 91.20
aCNC C4H9N Pyrrolidine 105.20
aCNC C2H3N3 1H-1,2,4-Triazole 105.70 dependent
aCNC C3H4N2 1H-Imidazole 106.90
aCNC C4H5N Pyrrole 109.80
aCNC C5H11N Piperidine 109.80
aCNC N(CH3)3 Trimethylamine 110.90
aCNC CH3NHCH3 Dimethylamine 112.20
aCNC C3H7NO dimethylformamide 113.90
aCNC C3H7NO dimethylformamide 120.80
aCNC HCONHCH3 N-methylformamide 121.40
aCNC C3H7NO dimethylformamide 122.30
aCNC C4H4N2O2 Uracil 126.70
aCNC C2H6N2O2 Dimethylnitroamine 127.61
Average 109.64 ±16.66
Min 60.25
Max 127.61