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.3. (XII.A.3.)

List of experimental bond lengths for bond type rC#C

Bond lengths in Å.
Click on an entry for more experimental geometry data.
bond type Species Name Length Comment
rC#C C2F2 difluoroacetylene 1.187
rC#C C4N2 2-Butynedinitrile 1.190
rC#C HCCF Fluoroacetylene 1.198
rC#C CH2ClCCCl 1,3-dichloropropyne 1.201
rC#C C2H2 Acetylene 1.203 rm structure
rC#C HCCCl Chloroacetylene 1.203
rC#C HCCBr bromoacetylene 1.204
rC#C C4H2 Diacetylene 1.205
rC#C HCCCN Cyanoacetylene 1.206
rC#C C5H6 1-Buten-3-yne, 2-methyl- 1.207 !assumed
rC#C CH3CCH propyne 1.207
rC#C C6H5CCH phenylacetylene 1.208
rC#C C6H10 1-Butyne, 3,3-dimethyl- 1.209 rs
rC#C HCCCHO 2-propynal 1.211
rC#C C5H6 Cyclopropylacetylene 1.211
rC#C CH3CCCH3 2-Butyne 1.214
rC#C C2H3CCH 1-Buten-3-yne 1.215
rC#C C2H Ethynyl radical 1.217 rs value
rC#C CHCCH2CH3 1-Butyne 1.217
rC#C C2Cl2 dichloroacetylene 1.246 re
rC#C SiC2 Silicon dicarbide 1.265
rC#C C2- carbon diatomic anion 1.268 re
 
Average 1.213 ±0.021
Min 1.187
Max 1.268