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 aOC=O

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aOC=O CHOOCHO diformyl ether 120.59
aOC=O C4H2O3 Maleic Anhydride 122.60
aOC=O CH3COOH Acetic acid 123.00
aOC=O C4H8O2 Ethyl acetate 124.00
aOC=O HCOOH Formic acid 124.90
aOC=O C2H2O4 Oxalic Acid 125.00
aOC=O CH3OCHO methyl formate 125.90
aOC=O CHOOCHO diformyl ether 126.12
Average 124.01 ±1.87
Min 120.59
Max 126.12