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CCCBDB Experimental bond lengths 3
C omputational C hemistry C omparison and B enchmark D ataB ase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Internal Coordinates by type OR Experimental > Geometry > Internal Coordinates by type
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
C2
Carbon diatomic
1.243
re
rC=C
C3 O2
Carbon suboxide
1.251
crystal structure
rC=C
C2 H2 +
acetylene cation
1.253
rz
rC=C
C3
carbon trimer
1.277
rC=C
F2 CCCF2
tetrafluoroallene
1.282
rC=C
H2 CCCCH2
Butatriene
1.283
rC=C
C3 H4
cyclopropene
1.296
rC=C
C4 H6
1-Methylcyclopropene
1.300
!assumed
rC=C
CH2 CCHCH3
1,2-Butadiene
1.301
rC=C
C2 H2 CO
cyclopropenone
1.302
rC=C
C4
Carbon tetramer
1.304
assumed all CC bonds equal
rC=C
C3 H4 O
Methylketene
1.306
rC=C
CH2 CCH2
allene
1.308
rC=C
C2 F4
Tetrafluoroethylene
1.311
rC=C
CH2 CO
Ketene
1.314
rC=C
CH2 CCHCH3
1,2-Butadiene
1.314
from end
rC=C
CH2 CS
Thioketene
1.314
rC=C
C2 H3
vinyl
1.316
rC=C
CHClCHCl
Ethene, 1,2-dichloro-, (Z)-
1.317
rC=C
H2 CCCCH2
Butatriene
1.318
rC=C
C2 H2 F2
Ethene, 1,2-difluoro-, (Z)-
1.324
rC=C
CH2 CCl2
Ethene, 1,1-dichloro-
1.324
rC=C
CH2 CHOH
ethenol
1.326
rC=C
C2 H2 ClF
1-chloro-1-fluoroethylene
1.327
rC=C
C2 H2 F2
Ethene, 1,2-difluoro-, (E)-
1.329
rC=C
CH2 CHF
Ethene, fluoro-
1.329
rC=C
C3 F6
hexafluoropropene
1.329
held equal to rC-F
rC=C
CH2 C(CH3 )CH3
1-Propene, 2-methyl-
1.330
rC=C
CH2 C(CH3 )OCH3
1-Propene, 2-methoxy-
1.330
rC=C
C6 H6
Trimethylenecycopropane
1.330
rC=C
C5 H8
Cyclobutane, methylene-
1.331
rC=C
C3 H2 O3
vinylene carbonate
1.331
rC=C
C6 H8
Bicyclo[2.1.1]hex-2-ene
1.332
rC=C
C4 H6
Methylenecyclopropane
1.332
rC=C
C4 H2 O3
Maleic Anhydride
1.332
rC=C
C2 H3 Cl
Ethene, chloro-
1.332
rC=C
C2 H3 Br
vinyl bromide
1.332
rC=C
CH2 CHCH2 F
Allyl Fluoride
1.333
rC=C
C5 H10
2-Pentene, (E)-
1.334
rC=C
C5 H8
Ethenylcyclopropane
1.334
rC=C
C2 H3 NO
Nitrosoethylene
1.335
rC=C
C4 F6
perfluorobutadiene
1.336
rC=C
C4 H5 N
(E)-2-Butenenitrile
1.336
!assumed
rC=C
C5 H6
1-Buten-3-yne, 2-methyl-
1.336
!assumed
rC=C
C7 H8
Norbornadiene
1.336
rC=C
C3 H6 O
2-Propen-1-ol
1.337
rC=C
CHClCCl2
Trichloroethylene
1.337
rC=C
CH2 CHOCHCH2
Vinyl ether
1.337
average
rC=C
CH2 CHCHCH2
1,3-Butadiene
1.337
rC=C
CH2 CHCHClCH3
1-Butene, 3-chloro-
1.337
rC=C
C6 H8
(Z)-hexa-1,3,5-triene
1.337
end =
rC=C
C8 H8
cyclooctatetraene
1.337
re
rC=C
C5 H10
2-Pentene, (Z)-
1.338
rC=C
C6 H8
Bicyclo[3.1.0]hex-2-ene
1.338
rC=C
C5 H8 O
2H-Pyran, 3,4-dihydro-
1.338
!assumed
rC=C
C3 H3 N
acrylonitrile
1.339
rC=C
CH2 CHCHO
Acrolein
1.339
rC=C
C2 H4
Ethylene
1.339
rC=C
C6 H6
Benzvalene
1.339
rC=C
C5 H8
1,4-Pentadiene
1.339
rC=C
CH2 CHCH2 CH2 Cl
1-Butene, 4-chloro-
1.339
rC=C
C4 H6 S
Thiophene, 2,5-dihydro-
1.340
rC=C
C5 H6
1,3-Cyclopentadiene
1.340
rC=C
C4 H4 N2 O2
Uracil
1.340
rC=C
CH2 CF2
Ethene, 1,1-difluoro-
1.340
rC=C
C5 H8
1,3-Butadiene, 2-methyl-
1.340
rC=C
C6 H10
cyclohexene
1.340
rC=C
CH2 CHCHO
Acrolein
1.341
rC=C
C2 HF3
Trifluoroethylene
1.341
rC=C
C5 H4 O2
4-Cyclopentene-1,3-dione
1.341
rC=C
C4 H6
Cyclobutene
1.342
rC=C
CH2 ClCHCHCH3
2-Butene, 1-chloro-
1.342
rC=C
CH2 CHCH2 CH3
1-Butene
1.342
rC=C
CH2 CClCHCH2
1,3-Butadiene, 2-chloro-
1.344
rC=C
CH2 CClCHCH2
1,3-Butadiene, 2-chloro-
1.344
rC=C
C2 H3 CCH
1-Buten-3-yne
1.344
rC=C
CF2 CCl2
difluorodichloroethylene
1.345
rC=C
CHOCHCHCH3
2-Butenal
1.345
!assumed
rC=C
C10 H10
bullvalene
1.346
rC=C
CH3 CHCHCH3
2-Butene, (Z)-
1.346
rC=C
C6 H8
1,4-Cyclohexadiene
1.347
rC=C
CH3 CHCHCH3
2-Butene, (E)-
1.347
rC=C
C4 H6 O
Furan, 2,5-dihydro-
1.347
rC=C
C6 H6
Fulvene
1.349
out of ring
rC=C
C6 H8
1,3-Cyclohexadiene
1.349
rC=C
C6 H12
(E)-3-methylpent-2-ene
1.349
rC=C
C5 H8
Cyclopentene
1.350
!assumed
rC=C
CH2 CHCH2 F
Allyl Fluoride
1.350
rC=C
C3 H3 NO
Oxazole
1.353
rC=C
C6 H12
2,3-dimethyl-but-2-ene
1.353
rC=C
CH2 CHCH3
Propene
1.353
rC=C
C2 Cl4
Tetrachloroethylene
1.354
rC=C
CHClCHCl
Ethene, 1,2-dichloro-, (E)-
1.354
rC=C
C6 H6
Fulvene
1.355
in ring
rC=C
C3 H3 NO
Isoxazole
1.356
rC=C
C4 H4 O
Furan
1.361
rC=C
C4 H5 NO
Isoxazole, 5-methyl-
1.362
!assumed
rC=C
C4 H5 NO
3-Methylisoxazole
1.362
!assumed
rC=C
C3 H4 N2
1H-Imidazole
1.364
rC=C
C6 H8
(Z)-hexa-1,3,5-triene
1.368
center =
rC=C
C4 H4 Se
selenophene
1.370
rC=C
C4 H4 S
Thiophene
1.370
rC=C
C5 H6 S
Thiophene, 3-methyl-
1.370
!assumed
rC=C
C3 H4 N2
1H-Pyrazole
1.374
rC=C
C4 H5 N
Pyrrole
1.382
Average
1.334
±1.340
Min
1.243
Max
1.382