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List of experimental bond angles of type aHCC

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aHCC CH2ClCHCl2 1,1,2-trichloroethane 101.00
aHCC CH(CN)3 tricyanomethane 106.59
aHCC CH3CH2CHO Propanal 106.80 by symmetry
aHCC C3H5Cl3 Propane, 1,2,3-trichloro- 107.00 to inside H
aHCC C10H10 bullvalene 107.50 C3 axis to C1-C3 bond 72.5
aHCC C4H8O2 Ethyl acetate 107.70 from C with =O
aHCC C3H6O 2-Propen-1-ol 107.70
aHCC C3H7SH 1-Propanethiol 107.90 from end C to middle C
aHCC C4H4N2 Succinonitrile 107.90
aHCC CH3COCH2CH3 2-Butanone 107.90 by symmetry
aHCC CH3COCH2CH3 2-Butanone 107.90
aHCC C3H6O 2-Propen-1-ol 108.00
aHCC C4H8O2 Ethyl acetate 108.10 to end C from C with 2 H
aHCC C4H6O2 2,3-Butanedione 108.10
aHCC C2H4F2 1,2-difluoroethane 108.40 H gauche to F on other C
aHCC CH3COCH2CH3 2-Butanone 108.40 by symmetry
aHCC C2H5I Ethyl iodide 108.60
aHCC C4H10O Methyl propyl ether 108.70 from C near O to middle C
aHCC CH2ClCCCl 1,3-dichloropropyne 108.80
aHCC HOCH2COOH Hydroxyacetic acid 108.80
aHCC C6H12 Cyclohexane 108.83 axial
aHCC CH2ClCHClCH3 Propane, 1,2-dichloro- 109.00
aHCC C3H8O2 1,3-Propanediol 109.00
aHCC CH2FCH2CH3 1-Fluoropropane 109.00
aHCC C5H8 1,3-Butadiene, 2-methyl- 109.10 to CH3 group
aHCC CH3CH2Cl Ethyl chloride 109.30 symmetric H on CH3
aHCC CH2CHCH2CH2Cl 1-Butene, 4-chloro- 109.30
aHCC C3H2N2 Malononitrile 109.31 by symmetry
aHCC CH3CH(CH3)CH3 Isobutane 109.40
aHCC CH3CN Acetonitrile 109.44 from symmetry
aHCC CH3CHFCH3 2-Fluoropropane 109.46 trans to Hsec
aHCC CHOCHCHCH3 2-Butenal 109.47 !assumed, towards end C
aHCC C4H5N (E)-2-Butenenitrile 109.47
aHCC C2H6O2 1,2-Ethanediol 109.47 !assumed
aHCC CH3CCl3 Ethane, 1,1,1-trichloro- 109.48 from symmetry
aHCC C3H8O2 Propylene glycol 109.50
aHCC CH3CHSHCH3 2-Propanethiol 109.50 !assumed
aHCC C6H14 Hexane 109.50
aHCC C5H6 Cyclopropylacetylene 109.50
aHCC CH3CH(CH3)ONO Isopropyl nitrite 109.50 assumed
aHCC C3H8 Propane 109.54 by symmetry
aHCC C4H10O Methyl propyl ether 109.60 from middle C to C near O
aHCC C2H5F fluoroethane 109.70 rs
aHCC CH3CH2SH ethanethiol 109.70 to end C, out of plane H
aHCC CH3CHClCH3 Propane, 2-chloro- 109.70
aHCC CH3COCH2CH3 2-Butanone 109.70
aHCC CH3CONH2 Acetamide 109.80
aHCC CH2ClCHClCH3 Propane, 1,2-dichloro- 109.80
aHCC C7H16 heptane 109.80 rg
aHCC C6H10 cyclohexene 109.90
aHCC CH3CHClCH3 Propane, 2-chloro- 109.90 to H on middle
aHCC CH2ClCHClCH3 Propane, 1,2-dichloro- 110.00
aHCC C2H5Br Ethyl bromide 110.00 by symmetry
aHCC C4H10O2 Ethane, 1,2-dimethoxy- 110.00 !assumed
aHCC CH3CHFCH3 2-Fluoropropane 110.04 H In ccc plane
aHCC CH3CHS Thioacetaldehyde 110.12 to out of plane H
aHCC CH3OC2H5 Ethane, methoxy- 110.13 ethyl end C out-of-plane H
aHCC CH3CHFCH3 2-Fluoropropane 110.20
aHCC CH2CHCH2CH2Cl 1-Butene, 4-chloro- 110.20
aHCC C3H7SH 1-Propanethiol 110.20 H out of CCCS plane from C with S to middle C
aHCC C3H7SH 1-Propanethiol 110.20 H in CCCS plane from C with S to middle C
aHCC C4H10O Ethoxy ethane 110.20 interior C - end C - in plane H
aHCC C4H10O Ethoxy ethane 110.20 interior C - end C - out plane H
aHCC CH3CH2SH ethanethiol 110.20 to C next to S
aHCC CH3OC2H5 Ethane, methoxy- 110.25
aHCC C4H10O Methyl propyl ether 110.30 from end to middle C
aHCC C6H12 (E)-3-methylpent-2-ene 110.30 average
aHCC CH2CHCH2CH3 1-Butene 110.30 from end
aHCC CH3CH2CHO Propanal 110.30 to end CH3
aHCC C5H12 Pentane 110.40
aHCC C4H10O Ethoxy ethane 110.40 end C - interior C - H
aHCC CH3COCH2CH3 2-Butanone 110.40
aHCC CH3COCH2CH3 2-Butanone 110.40
aHCC CH3COF Acetyl fluoride 110.40
aHCC CH2FCH2CH3 1-Fluoropropane 110.40
aHCC C2H5F fluoroethane 110.40 by symmetry
aHCC CH3CHFCH3 2-Fluoropropane 110.45
aHCC CH3OC2H5 Ethane, methoxy- 110.50 ethyl end C in-plane H
aHCC CH3COCH3 Acetone 110.50
aHCC CH3CH2Cl Ethyl chloride 110.53 asymetric H on CH3
aHCC C6H12 Cyclohexane 110.55 equatorial
aHCC CH2ClCH2CH2CH3 Butane, 1-chloro- 110.60 average
aHCC C3H7SH 1-Propanethiol 110.60 from C with S to middle C
aHCC C3H8 Propane 110.60 to the end
aHCC CH3CHClCH2CH3 Butane, 2-chloro- 110.60 average
aHCC CH3CH2SH ethanethiol 110.60 to end C, in plane H
aHCC CH3SCH2CH3 Ethane, (methylthio)- 110.60 ethyl side, to end C
aHCC CH3CCH propyne 110.63 from symmetry
aHCC C6H5CH3 toluene 110.70 !assumed
aHCC CH2C(CH3)CH3 1-Propene, 2-methyl- 110.70
aHCC CH3SCH2CH3 Ethane, (methylthio)- 110.70 ethyl side, to C next to S
aHCC CH3CCCH3 2-Butyne 110.70
aHCC CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 110.80 !assumed
aHCC CH3CH2O Ethoxy radical 110.80 H opp O, other C
aHCC C2H5I Ethyl iodide 110.80
aHCC CHOCH(CH3)CH3 Propanal, 2-methyl- 110.80 average
aHCC C3H5Cl3 Propane, 1,2,3-trichloro- 110.80 to outside H
aHCC CH3CHClCH3 Propane, 2-chloro- 110.90 CH3 alpha
aHCC C2H6 Ethane 110.91 by symmetry
aHCC CH3CHF2 Ethane, 1,1-difluoro- 111.00
aHCC C5H6 1-Buten-3-yne, 2-methyl- 111.00 !assumed, to CH3
aHCC CH3COCH2CH3 2-Butanone 111.00
aHCC CH3CH2CH2CH3 Butane 111.00 average
aHCC C3H7SH 1-Propanethiol 111.00 !assumed, from middle C to end C
aHCC C4H6 1-Methylcyclopropene 111.00 !assumed, to methyl
aHCC C4H10O Methyl propyl ether 111.00 to in plane H
aHCC C4H10O Methyl propyl ether 111.00 to out of plane H
aHCC CH2FCH2CH3 1-Fluoropropane 111.00
aHCC CH3CHS Thioacetaldehyde 111.20 to in plane H
aHCC C2H4F2 1,2-difluoroethane 111.30 H trans to F on other C
aHCC CH3CHCl2 Ethane, 1,1-dichloro- 111.30 !assumed
aHCC C2H4F2 1,2-difluoroethane 111.40
aHCC CH2FCH2CH3 1-Fluoropropane 111.40
aHCC CH2CHCH2CH2Cl 1-Butene, 4-chloro- 111.50
aHCC CH2FCH2CH3 1-Fluoropropane 111.60
aHCC CH3CCl2CH3 Propane, 2,2-dichloro- 111.65 from symmetry
aHCC C5H10 Cyclopentane 111.70
aHCC CH3CH2CHO Propanal 111.70 from symmetry
aHCC C3H8 Propane 111.80 to the end
aHCC CH3CH2Cl Ethyl chloride 111.81 H on CH2Cl
aHCC CH3CH2CHO Propanal 111.90
aHCC CH3CF3 Ethane, 1,1,1-trifluoro- 112.00
aHCC C5H7N Cyclobutanecarbonitrile 112.00 from C with #
aHCC CH2C(CH3)OCH3 1-Propene, 2-methoxy- 112.10
aHCC C2H2O2 Ethanedial 112.20
aHCC C2H5Br Ethyl bromide 112.20
aHCC C5H12 Propane, 2,2-dimethyl- 112.20
aHCC C2H5I Ethyl iodide 112.57
aHCC C5H10 2-Pentene, (E)- 112.70
aHCC C2H5F fluoroethane 112.90 rs
aHCC CH2C(CH3)CH3 1-Propene, 2-methyl- 112.90
aHCC CH2ClCH2Cl Ethane, 1,2-dichloro- 113.20
aHCC CH3CH2NH2 Ethylamine 113.20 average
aHC=C C3H4O Methylketene 113.70
aHCC CH3CSNH2 Ethanethioamide 113.80
aHCC C5H10 2-Pentene, (Z)- 114.20
aHCC C4H6 Cyclobutene 114.50
aHCC CH2CHCHO Acrolein 114.70
aHCC C3H6O Oxetane 114.83 by symmetry
aHC=C CH2CHOCHCH2 Vinyl ether 115.00 average
aHCC CH3CH2CHO Propanal 115.10 to C with =O
aHCC CHOCHCHCH3 2-Butenal 115.10 !assumed, middle C has =O
aHCC CH2CHCHO Acrolein 115.50
aHCC C8H8 cyclooctatetraene 115.61 ae
aHCC CHOCHCHCH3 2-Butenal 116.09
aHCC C4H5N (E)-2-Butenenitrile 116.70 !assumed, H is attache to C=
aHCC C5H8 Ethenylcyclopropane 116.80 !assumed
aHCC C4H6 Bicyclo[1.1.0]butane 116.90 corner to middle
aHCC C5H6 Propellane 116.90 Cax - Ceq - H
aHC=C CH2CHCH2CH3 1-Butene 117.10 middle C has =
aHCC C5H8O Methyl cyclopropyl ketone 117.20 !average
aHC=C C5H8 1,4-Pentadiene 117.30 from end
aHCC CH2CHCHO Acrolein 117.30
aHCC CH3CHO Acetaldehyde 117.50
aHCC CH2CHCHO Acrolein 117.60
aHCC C7H8 Norbornadiene 117.66
aHC=C C8H8 cyclooctatetraene 117.70 ae
aHCC C3H5 Allyl radical 117.70 by symmetry
aHCC C2H5N Aziridine 117.75 H on NH side
aHCC C3H6 Cyclopropane 117.90 by symmetry
aHCC C2H4S Thiirane 117.93 by symmetry
aHCC C4H6 Bicyclo[1.1.0]butane 118.10 corner to middle
aHCC C5H8 Spiropentane 118.30
aHCC C6H8 Bicyclo[3.1.0]hex-2-ene 118.50
aHC=C CH2CHCHO Acrolein 118.50
aHC=C C2H3CCH 1-Buten-3-yne 118.70
aHC=C C5H4O2 4-Cyclopentene-1,3-dione 118.70
aHCC C5H8 Spiropentane 118.70
aHC=C CH2CO Ketene 118.72 by symmetry
aHC=C CH2CHCH2CH2Cl 1-Butene, 4-chloro- 119.00 from end
aHC=C C4H5N (E)-2-Butenenitrile 119.00 !assumed, H is attached to C=, away from N
aHC=C CH2CF2 Ethene, 1,1-difluoro- 119.00
aHC=C CH2CHF Ethene, fluoro- 119.00 H trans to F
aHCC C2H4O Ethylene oxide 119.08 from symmetry
aHC=C C2H2ClF 1-chloro-1-fluoroethylene 119.18 Cl side
aHCC C3H4 cyclopropene 119.22 by symmetry
aHC=C C2H2ClF 1-chloro-1-fluoroethylene 119.25 F side
aHCC C6H5Cl chlorobenzene 119.30
aHCC C2H5N Aziridine 119.32 H away from NH side
aHCC CH3CHS Thioacetaldehyde 119.40 to single H
aHCC CH2CHOH ethenol 119.50
aHC=C C6H10 cyclohexene 119.50
aHC=C C2H3Cl Ethene, chloro- 119.50 H trans to Cl
aHCC C6H5Cl chlorobenzene 119.60
aHCC C4H5N Cyclopropanecarbonitrile 119.60 from C#N
aHC=C C5H8 Ethenylcyclopropane 119.70 !assumed
aHC=C CH2CHCHO Acrolein 119.80
aHC=C C3H6O 2-Propen-1-ol 119.80 outside H
aHC:C C6H5CH3 toluene 119.88
aHC:C C6H5CH3 toluene 119.88
aHCC C2H8N2 Ethylenediamine 119.90
aHC:C C6H5F Fluorobenzene 119.90
aHCC C4H8 cyclobutane 119.93 axial
aHC:C C4H4N2 Pyrazine 119.96
aHC:C C6H5F Fluorobenzene 120.00
aHC=C CH2ClCHCHCH3 2-Butene, 1-chloro- 120.00
aHC=C C5H8 Cyclobutane, methylene- 120.00 !assumed
aHC:C C6H4Cl2 1,4-dichlorobenzene 120.00 assumed
aHC:C C6H6 Benzene 120.00
aHC=C CH2CCl2 Ethene, 1,1-dichloro- 120.00 by symmetry
aHC=C C2H3NO Nitrosoethylene 120.00
aHC:C C6H5CN phenyl cyanide 120.01
aHCC C6H5Cl chlorobenzene 120.10
aHC:C C4H4N2 Pyridazine 120.30 by symmetry
aHC:C C6H5CN phenyl cyanide 120.36
aHC=C C5H6 1-Buten-3-yne, 2-methyl- 120.50 !assumed
aHCC CHClCCl2 Trichloroethylene 120.60
aHC:C C5H5N Pyridine 120.70 by symmetry
aHC=C CH2C(CH3)CH3 1-Propene, 2-methyl- 120.75 by symmetry
aHC=C CH2CHF Ethene, fluoro- 120.90 H from cis to F
aHC:C C4H4N2 1,3-Diazine 120.90 towards N
aHC=C CH2CCH2 allene 120.90 by symmetry
aHC=C C3H5 Allyl radical 120.90 middle C - C - H
aHC=C CH2CHCH2CH2Cl 1-Butene, 4-chloro- 121.00 towards end
aHC=C C2H3Cl Ethene, chloro- 121.00 H cis to Cl
aHCC CH2CHCHO Acrolein 121.00
aHC=C C3H6O 2-Propen-1-ol 121.00 towards end C
aHC:C C4H4N2 1,3-Diazine 121.10 by symmetry
aHC=C C2H4 Ethylene 121.20
aHC=C CH2C(CH3)OCH3 1-Propene, 2-methoxy- 121.40
aHCC C6H8 Bicyclo[3.1.0]hex-2-ene 121.40
aHC=C CH2CHCH2CH2Cl 1-Butene, 4-chloro- 121.50 towards end
aHC=C C4H5N (E)-2-Butenenitrile 121.50 !assumed
aHC=C H2CCCCH2 Butatriene 121.50 by symmetry
aHC=C C2H3 vinyl 121.50
aHC=C C5H6 1-Buten-3-yne, 2-methyl- 121.50 !assumed
aHC=C CH2CHCHO Acrolein 121.60
aHC=C C2H3CCH 1-Buten-3-yne 121.60
aHC=C C2H3CCH 1-Buten-3-yne 121.70
aHCC CH2CHOH ethenol 121.70
aHC=C C3H3N acrylonitrile 121.70
aHC=C C4H6S Thiophene, 2,5-dihydro- 121.75
aHC=C C3H6O 2-Propen-1-ol 122.00 outside H
aHC=C CH2CHCHO Acrolein 122.20
aHCC CH2CHCHO Acrolein 122.40
aHCC CH2ClCHCHCH3 2-Butene, 1-chloro- 122.70 average
aHC:C C4H4N2 Pyridazine 122.70 to =C
aHC=C CHOCHCHCH3 2-Butenal 122.83 !assumed
aHC=C C4H6 Methylenecyclopropane 122.85 by symmetry
aHCC C4H4Se selenophene 122.90
aHC=C CHClCHCl Ethene, 1,2-dichloro-, (Z)- 123.18
aHC=C C5H8 1,4-Pentadiene 123.20 to end
aHCC C4H4S Thiophene 123.30 by symmetry
aHC=C C5H8 1,3-Butadiene, 2-methyl- 123.40 to CH group from end
aHC=C C2H3Cl Ethene, chloro- 123.80 H on CHCl end
aHC=C C2HF3 Trifluoroethylene 124.00
aHC=C C2H2F2 Ethene, 1,2-difluoro-, (Z)- 124.00
aHC=C C5H10 2-Pentene, (Z)- 124.00
aHC=C C5H8 1,3-Butadiene, 2-methyl- 124.30 to CH2 groups
aHC=C C4H4S Thiophene 124.30
aHC:C C4H4N2 Pyridazine 124.60 from =C
aHCC C6H6 Fulvene 124.66
aHCC C8H8 cubane 125.26 symmetry
aHCC C4H4O Furan 126.00 by symmetry
aHC=C C6H6 Fulvene 126.39
aHC=C C4H5N Pyrrole 127.10
aHC=C C7H8 Norbornadiene 127.84
aHC=C C4H4O Furan 127.90
aHCC C3H4N2 1H-Pyrazole 127.90
aHC=C C4H5N Pyrrole 128.20 by symmetry
aHCC C4H6 Bicyclo[1.1.0]butane 128.40 across center to H
aHC=C C3H3NO Isoxazole 128.50 going away from O
aHC=C C4H4S Thiophene 128.60 by symmetry
aHC=C C6H8 Bicyclo[3.1.0]hex-2-ene 128.90 assumed
aHC=C C5H10 2-Pentene, (E)- 129.00
aHC=C C3H3NO Oxazole 129.10 towards N
aHCC CH2CHOH ethenol 129.10
aHCC C2H2F2 Ethene, 1,2-difluoro-, (E)- 129.20
aHC=C CH2CHF Ethene, fluoro- 129.20 from symmetry
aHC=C C4H2O3 Maleic Anhydride 129.70 assumed
aHCC C4H6 Bicyclo[1.1.0]butane 129.90 corner to middle H
aHCC C2H2N2O Furazan 130.16
aHCC C4H8 cyclobutane 130.74 equatorial
aHC=C C4H5N Pyrrole 130.80 by symmetry
aHC=C C4H4O Furan 133.40 by symmetry
aHC=C C3H3NO Isoxazole 133.40
aHC=C C4H6 Cyclobutene 133.50
aHC=C C4H6O Furan, 2,5-dihydro- 134.80
aHC=C C3H3NO Oxazole 135.00 away from N
aHCC C2H3 vinyl 137.30
aHCC C3H4 cyclopropene 145.57 by symmetry
aHC=C C3H4 cyclopropene 149.85
aHC=C C4H6 1-Methylcyclopropene 150.00 !assumed
aHC#C HCCF Fluoroacetylene 180.00
aHCC C2H Ethynyl radical 180.00
aHC#C C2H2 Acetylene 180.00
aHC#C C2H3CCH 1-Buten-3-yne 182.30
Average 117.43 ±10.61
Min 101.00
Max 182.30