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List of experimental bond angles of type aHCH

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aHCH CH2 Methylene 102.37 unc from fit. 0.06 from diff constants
aHCH CH2- methylene anion 103.00
aHCH CH3CH2CHO Propanal 105.00
aHCH CH3COCH2CH3 2-Butanone 105.40
aHCH C6H10 cyclohexene 105.50
aHCH CH2CHCH2CH3 1-Butene 105.70
aHCH C5H10S 2H-Thiopyran, tetrahydro- 105.70
aHCH C4H6O Cyclobutanone 105.90
aHCH C5H8 Cyclobutane, methylene- 106.00 average
aHCH C6H10O cyclohexanone 106.00
aHCH C4H9N Pyrrolidine 106.00
aHCH C3H8 Propane 106.10 center C
aHCH CH3CH2O Ethoxy radical 106.50 on C with O
aHCH CH3CH2SH ethanethiol 106.58
aHCH CH3CH2SH ethanethiol 106.58
aHCH CH3SOCH3 Dimethyl sulfoxide 106.60
aHCH C5H12 Propane, 2,2-dimethyl- 106.60
aHCH C6H12 Cyclohexane 106.65
aHCH CH3CF3 Ethane, 1,1,1-trifluoro- 106.80 from symmetry
aHCH C6H10 cyclohexene 106.90
aHCH CH3CH2SH ethanethiol 106.92
aHCH C3H2N2 Malononitrile 106.94
aHCH CH3CH2CHO Propanal 107.00 out to out
aHCH C6H12 2,3-dimethyl-but-2-ene 107.00
aHCH H2NCH2COOH Glycine 107.04 !assumed
aHCH C4H10O Methyl propyl ether 107.10 middle C
aHCH C4H10O Methyl propyl ether 107.10 propyl side, C near O
aHCH C4H6O Furan, 2,5-dihydro- 107.10
aHCH CH3CCl2CH3 Propane, 2,2-dichloro- 107.20
aHCH CH3NHCH3 Dimethylamine 107.20 up to down
aHCH C3H8 Propane 107.30
aHCH CH3O Methoxy radical 107.58 by symmetry
aHCH C4H10O Ethoxy ethane 107.60 interior C
aHCH CH3COCH2CH3 2-Butanone 107.60
aHCH C4H10O Methyl propyl ether 107.60 propyl side, end C, out to out of plane
aHCH C4H5N (E)-2-Butenenitrile 107.70 !assumed
aHCH SiH2(CH3)2 dimethylsilane 107.78
aHCH C4H10O Methyl propyl ether 107.90 methyl side, out to out of plane H
aHCH CH3CH(CH3)CH3 Isobutane 107.90 anti-sym
aHCH CH3CHF2 Ethane, 1,1-difluoro- 107.90
aHCH C(CH3)3NH2 2-Propanamine, 2-methyl- 108.00 average
aHCH C3H7SH 1-Propanethiol 108.00 !assumed, end C
aHCH C2H6 Ethane 108.00
aHCH C4H10O Methyl propyl ether 108.00 propyl side, end C, out to in plane
aHCH C5H8 Bicyclo[2.1.0]pentane 108.00 !assumed, in square
aHCH CH3SiH3 methyl silane 108.00 From symmetry
aHCH CH3OCH3 Dimethyl ether 108.03 rs, between Hs out of OCO plane
aHCH SiH2(CH3)2 dimethylsilane 108.08
aHCH CH3CH2O Ethoxy radical 108.10 C w/o O
aHCH C4H8O2 Ethyl acetate 108.10 dependent, C with 2 H
aHCH CH3ONO Methyl nitrite 108.10 out of plane Hs
aHCH C3H8 Propane 108.10
aHCH CH3CH2SH ethanethiol 108.10 end C, out to out of plane
aHCH C3H7SH 1-Propanethiol 108.10 middle C
aHCH N(CH3)3 Trimethylamine 108.10 side to middle
aHCH CH3Cl Methyl chloride 108.16 from symmetry
aHCH C4H10O Ethoxy ethane 108.20 out H - end C - out H
aHCH C5H12O Butane, 1-methoxy- 108.20 C at end
aHCH CH3SCH2CH3 Ethane, (methylthio)- 108.20 ethyl side, end C, out to in plane
aHCH CH3CCCH3 2-Butyne 108.21 by symmetry
aHCH CH3CH2Cl Ethyl chloride 108.26 asymetric Hs on CH3
aHCH CH3CCH propyne 108.28
aHCH CH3CHO Acetaldehyde 108.30
aHCH CH3OCl methyl hypochlorite 108.30 out of plane to out of plane
aHCH CH3SCH2CH3 Ethane, (methylthio)- 108.40 ethyl side, C next to S
aHCH CH3NH2 methyl amine 108.40
aHCH GeH3CH3 methyl germane 108.40
aHCH C4H10O Ethanol, 1,1-dimethyl- 108.50
aHCH CH3CH(CH3)CH3 Isobutane 108.50 anti-anti
aHCH CH3COCl Acetyl Chloride 108.60
aHCH N(CH3)3 Trimethylamine 108.60 side to side
aHCH CH3SCH2CH3 Ethane, (methylthio)- 108.60 ethyl side, end C, out to out of plane
aHCH C5H10O 2-Butanone, 3-methyl- 108.70 average
aHCH C2H5F fluoroethane 108.70 rs
aHCH CH3CH2CHO Propanal 108.70 in to out
aHCH C2H5F fluoroethane 108.80 rs
aHCH C2H5F fluoroethane 108.90 rs
aHCH C3H7SH 1-Propanethiol 108.90 C with S
aHCH C2H5Br Ethyl bromide 108.90
aHCH CH3CH2SH ethanethiol 108.90 on C next to S
aHCH CH3CH2SH ethanethiol 108.90 end C, out to in plane
aHCH C4H10O Ethoxy ethane 108.90 out H - end C - in H
aHCH CH3S thiomethoxy 108.94 by symmetry
aHCH CH3CH2Cl Ethyl chloride 108.99 CH2Cl end
aHCH C5H8O 2H-Pyran, 3,4-dihydro- 109.00 !assumed
aHCH CH3NHCH3 Dimethylamine 109.00 out to up
aHCH CH3NHCH3 Dimethylamine 109.00 out to down
aHCH C4H6 1-Methylcyclopropene 109.00 !assumed, C outside ring
aHCH C4H6 1-Methylcyclopropene 109.00 !assumed, C outside ring
aHCH C5H7N Cyclobutanecarbonitrile 109.00
aHCH CH3OH Methyl alcohol 109.03
aHCH C2H4F2 1,2-difluoroethane 109.10
aHCH C4H6 Cyclobutene 109.20
aHCH CH3OCH3 Dimethyl ether 109.21 rs, from H in OCO plane to out of plane H
aHCH C6H10 Bicyclo[3.1.0]hexane 109.30
aHCH CH3CH2SH ethanethiol 109.33
aHCH CH3CHNOH Acetaldoxime 109.40 !assumed
aHCH C5H10O 2H-Pyran, tetrahydro- 109.40
aHCH C6H8 Bicyclo[3.1.0]hex-2-ene 109.40 assumed
aHCH CH3NC methyl isocyanide 109.40 from CD3NC
aHCH CH3CCl3 Ethane, 1,1,1-trichloro- 109.47
aHCH CHOCHCHCH3 2-Butenal 109.47 !assumed, end C
aHCH CH4 Methane 109.47
aHCH CH3CN Acetonitrile 109.50
aHCH C3H6O Propylene oxide 109.50 !assumed, C out of ring
aHCH C5H6S Thiophene, 3-methyl- 109.50 !assumed
aHCH CH3SCH2CH3 Ethane, (methylthio)- 109.50 methyl side, in to out of plane
aHCH CH3SCH2CH3 Ethane, (methylthio)- 109.50 methyl side, out to out of plane
aHCH C5H8 Cyclopentene 109.50 !assumed
aHCH CH3SCH3 Dimethyl sulfide 109.60
aHCH C2H6O2S Dimethyl sulfone 109.60 !assumed
aHCH C5H12O Butane, 1-methoxy- 109.70 by O
aHCH C4H10O Methyl propyl ether 109.70 methyl side, out to in plane H
aHCH Si(CH3)4 tetramethylsilane 109.80
aHCH C4H6S Thiophene, 2,5-dihydro- 109.80
aHCH C5H8 1,3-Butadiene, 2-methyl- 109.84 from symmetry, methyl group
aHCH C2H5Br Ethyl bromide 109.90
aHCH C3H4O Methylketene 109.90
aHCH CH3SeH Methane selenol 110.00 methyl tilt = 1.5
aHCH C5H8O Cyclopentanone 110.00
aHCH C3H6O Oxetane 110.00
aHCH CH3F Methyl fluoride 110.20
aHCH CH3CHCl2 Ethane, 1,1-dichloro- 110.20 !assumed
aHCH CH3SH Methanethiol 110.30
aHCH CH3SeCH3 dimethylselenide 110.30
aHCH CH2FCl fluorochloromethane 110.40
aHCH CH3OCl methyl hypochlorite 110.50 in plane to out of plane
aHCH CH3SOCH3 Dimethyl sulfoxide 110.60
aHCH CH3OCHO methyl formate 110.70 end C
aHCH C3H6O Oxetane 110.80
aHCH CH3COF Acetyl fluoride 110.85
aHCH CH2Br2 dibromomethane 110.90 rs value
aHCH CH3Br methyl bromide 111.16 equilibrium
aHCH CH3I methyl iodide 111.40 by symmetry
aHCH CH2Cl2 Methylene chloride 112.00
aHCH CH2BrF Methane, bromofluoro- 112.00 assumed
aHCH C5H7N Cyclobutanecarbonitrile 112.00 !assumed
aHCH C5H11N Piperidine 112.20
aHCH C2H8N2 Ethylenediamine 112.70
aHCH CH2F2 Methane, difluoro- 112.80
aHCH C5H4O2 4-Cyclopentene-1,3-dione 113.20
aHCH CH3ONO Methyl nitrite 113.44 fro symmetry, in plane to out of plane Hs
aHCH C4H6 Methylenecyclopropane 113.50
aHCH CH3SOCH3 Dimethyl sulfoxide 113.60
aHCH C3H4O Cyclopropanone 114.10
aHCH C4H6 Methylenecyclopropane 114.30 on methyl group
aHCH C3H6 Cyclopropane 114.50 re value
aHCH C3H4 cyclopropene 114.57
aHCH C4H5N Cyclopropanecarbonitrile 114.60
aHCH C5H6 Cyclopropylacetylene 114.60
aHCH C4H6 1-Methylcyclopropene 114.70 !assumed, C with 2 H
aHCH C5H8 Bicyclo[2.1.0]pentane 115.00 !assumed, in tri
aHCH C4H6 Bicyclo[1.1.0]butane 115.60
aHCH C2H5N Aziridine 115.72
aHCH C2H4S Thiirane 115.80
aHCH C6H10 Bicyclo[3.1.0]hexane 116.00
aHCH H2CO Formaldehyde 116.13
aHCH C3H7N Cyclopropylamine 116.20
aHCH C5H10 Cyclopropane, 1,1-dimethyl- 116.20 !assumed, in ring
aHCH C3H6O Propylene oxide 116.25 !assumed, C in ring
aHCH H2CS Thioformaldehyde 116.52
aHCH C6H8 Bicyclo[3.1.0]hex-2-ene 116.70 assumed
aHCH C2H4O Ethylene oxide 116.75
aHCH CH2NH Methanimine 116.90
aHCH H2CCCCH2 Butatriene 117.00 !assumed
aHCH C6H6 Fulvene 117.00
aHCH CH2PH H2CPH 117.20
aHCH CH2O2 Dioxirane 117.32
aHCH C2H4 Ethylene 117.60
aHCH C5H8 Spiropentane 118.00
aHCH C4H8O2 1,3-Dioxolane, 2-methyl- 118.00 !assumed
aHCH C3H6O2 1,3-Dioxolane 118.00
aHCH CH2CCH2 allene 118.20
aHCH CH2C(CH3)CH3 1-Propene, 2-methyl- 118.50
aHCH CH2CHCHO Acrolein 118.50 by symmetry
aHCH CH2CCl2 Ethene, 1,1-dichloro- 120.00
aHCH CH3 Methyl radical 120.00
aHCH CH2CHF Ethene, fluoro- 120.10 from symmetry
aHCH CH2CF2 Ethene, 1,1-difluoro- 121.80
aHCH CH2CO Ketene 122.56
aHCH CH2Cl chloromethyl radical 122.60
aHCH CH2NN diazomethane 126.00 a0
aHCH CH2 Methylene 135.50 a0 value
Average 110.62 ±4.47
Min 102.37
Max 135.50