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 |
CH2ClCCCl |
1,3-dichloropropyne |
98.95 |
|
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 |
by symmetry |
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 |
CH2FCH2CH3 |
1-Fluoropropane |
107.30 |
|
aHCH |
C3H8 |
Propane |
107.30 |
|
aHCH |
CH3OC2H5 |
Ethane, methoxy- |
107.40 |
|
aHCH |
CH3O |
Methoxy radical |
107.58 |
by symmetry |
aHCH |
C4H10O |
Methyl propyl ether |
107.60 |
propyl side, end C, out to out of plane |
aHCH |
CH3COCH2CH3 |
2-Butanone |
107.60 |
|
aHCH |
C4H10O |
Ethoxy ethane |
107.60 |
interior C |
aHCH |
CH2FCH2CH3 |
1-Fluoropropane |
107.70 |
|
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 |
C2H5I |
Ethyl iodide |
107.93 |
|
aHCH |
C2H6 |
Ethane |
108.00 |
|
aHCH |
C3H7SH |
1-Propanethiol |
108.00 |
!assumed, end C |
aHCH |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
108.00 |
average |
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 |
CH2CHCH2F |
Allyl Fluoride |
108.09 |
|
aHCH |
CH3ONO |
Methyl nitrite |
108.10 |
out of plane Hs |
aHCH |
CH3CH2O |
Ethoxy radical |
108.10 |
C w/o O |
aHCH |
C4H8O2 |
Ethyl acetate |
108.10 |
dependent, C with 2 H |
aHCH |
N(CH3)3 |
Trimethylamine |
108.10 |
side to middle |
aHCH |
C3H7SH |
1-Propanethiol |
108.10 |
middle C |
aHCH |
CH3CH2SH |
ethanethiol |
108.10 |
end C, out to out of plane |
aHCH |
C3H8 |
Propane |
108.10 |
|
aHCH |
C4H10O |
Ethoxy ethane |
108.20 |
out H - end C - out H |
aHCH |
CH3SCH2CH3 |
Ethane, (methylthio)- |
108.20 |
ethyl side, end C, out to in plane |
aHCH |
C5H12O |
Butane, 1-methoxy- |
108.20 |
C at end |
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 |
CH3SiFH2 |
fluoromethylsilane |
108.38 |
|
aHCH |
CH3SCH2CH3 |
Ethane, (methylthio)- |
108.40 |
ethyl side, C next to S |
aHCH |
GeH3CH3 |
methyl germane |
108.40 |
|
aHCH |
CH3NH2 |
methyl amine |
108.40 |
|
aHCH |
CH3COCH3 |
Acetone |
108.40 |
|
aHCH |
CH3CH(CH3)CH3 |
Isobutane |
108.50 |
anti-anti |
aHCH |
C4H10O |
Ethanol, 1,1-dimethyl- |
108.50 |
|
aHCH |
CH2FCH2CH3 |
1-Fluoropropane |
108.50 |
|
aHCH |
CH3OC2H5 |
Ethane, methoxy- |
108.57 |
methyl out-of-plane |
aHCH |
CH3SiFH2 |
fluoromethylsilane |
108.57 |
|
aHCH |
CH3SCH2CH3 |
Ethane, (methylthio)- |
108.60 |
ethyl side, end C, out to out of plane |
aHCH |
N(CH3)3 |
Trimethylamine |
108.60 |
side to side |
aHCH |
CH3COCl |
Acetyl Chloride |
108.60 |
|
aHCH |
CH3OC2H5 |
Ethane, methoxy- |
108.63 |
ethyl end C out-of-plane H |
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 |
CHCl2CH2CH3 |
1,1-dichloropropane |
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 |
C2H5Br |
Ethyl bromide |
108.90 |
|
aHCH |
CH3S |
thiomethoxy |
108.94 |
by symmetry |
aHCH |
CH3CH2Cl |
Ethyl chloride |
108.99 |
CH2Cl end |
aHCH |
CH2FCH2CH3 |
1-Fluoropropane |
109.00 |
|
aHCH |
CH3NHCH3 |
Dimethylamine |
109.00 |
out to up |
aHCH |
CH3NHCH3 |
Dimethylamine |
109.00 |
out to down |
aHCH |
C5H8O |
2H-Pyran, 3,4-dihydro- |
109.00 |
!assumed |
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 |
CH3NO |
nitrosomethane |
109.27 |
out of plane Hs |
aHCH |
C6H10 |
Bicyclo[3.1.0]hexane |
109.30 |
|
aHCH |
C2H5I |
Ethyl iodide |
109.32 |
|
aHCH |
CH3CH2SH |
ethanethiol |
109.33 |
|
aHCH |
C5H10O |
2H-Pyran, tetrahydro- |
109.40 |
|
aHCH |
CH3CHNOH |
Acetaldoxime |
109.40 |
!assumed |
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 |
CH2BrCl |
Methane, bromochloro- |
109.50 |
assumed |
aHCH |
C3H6O |
Propylene oxide |
109.50 |
!assumed, C out of ring |
aHCH |
CH2ClCHO |
chloroacetaldehyde |
109.50 |
!assumed |
aHCH |
C5H8 |
Cyclopentene |
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 |
C5H6S |
Thiophene, 3-methyl- |
109.50 |
!assumed |
aHCH |
CH3SCH3 |
Dimethyl sulfide |
109.60 |
|
aHCH |
C2H6O2S |
Dimethyl sulfone |
109.60 |
!assumed |
aHCH |
C4H10O |
Methyl propyl ether |
109.70 |
methyl side, out to in plane H |
aHCH |
C5H12O |
Butane, 1-methoxy- |
109.70 |
by O |
aHCH |
C4H6S |
Thiophene, 2,5-dihydro- |
109.80 |
|
aHCH |
Si(CH3)4 |
tetramethylsilane |
109.80 |
|
aHCH |
C5H8 |
1,3-Butadiene, 2-methyl- |
109.84 |
from symmetry, methyl group |
aHCH |
C2H5I |
Ethyl iodide |
109.85 |
|
aHCH |
C2H5Br |
Ethyl bromide |
109.90 |
|
aHCH |
C3H4O |
Methylketene |
109.90 |
|
aHCH |
C2H4F2 |
1,2-difluoroethane |
110.00 |
|
aHCH |
CH3SeH |
Methane selenol |
110.00 |
methyl tilt = 1.5 |
aHCH |
C3H6O |
Oxetane |
110.00 |
|
aHCH |
C5H8O |
Cyclopentanone |
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 |
CH3Cl |
Methyl chloride |
110.75 |
|
aHCH |
C3H6O |
Oxetane |
110.80 |
|
aHCH |
CH3COF |
Acetyl fluoride |
110.85 |
|
aHCH |
CH2Br2 |
dibromomethane |
110.90 |
rs value |
aHCH |
CH2ClI |
chloroiodomethane |
111.00 |
|
aHCH |
CH3Br |
methyl bromide |
111.16 |
equilibrium |
aHCH |
CH2CHCH2F |
Allyl Fluoride |
111.35 |
|
aHCH |
CH3I |
methyl iodide |
111.40 |
by symmetry |
aHCH |
CH2I2 |
Diiodomethane |
111.60 |
|
aHCH |
C5H8 |
Bicyclo[1.1.1]pentane |
111.70 |
|
aHCH |
C7H8 |
Norbornadiene |
111.99 |
|
aHCH |
CH2BrF |
Methane, bromofluoro- |
112.00 |
assumed |
aHCH |
C5H7N |
Cyclobutanecarbonitrile |
112.00 |
!assumed |
aHCH |
CH2Cl2 |
Methylene chloride |
112.10 |
rs |
aHCH |
C5H11N |
Piperidine |
112.20 |
|
aHCH |
C2H8N2 |
Ethylenediamine |
112.70 |
|
aHCH |
CH2F2 |
Methane, difluoro- |
112.80 |
|
aHCH |
CH2FI |
fluoroiodomethane |
112.98 |
|
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 |
C5H8 |
Spiropentane |
113.70 |
|
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 |
C5H6 |
Cyclopropylacetylene |
114.60 |
|
aHCH |
C4H5N |
Cyclopropanecarbonitrile |
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 |
C5H6 |
Propellane |
116.00 |
|
aHCH |
H2CO |
Formaldehyde |
116.13 |
|
aHCH |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
116.20 |
!assumed, in ring |
aHCH |
C3H7N |
Cyclopropylamine |
116.20 |
|
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 |
CH2N2 |
diazirine |
117.00 |
|
aHCH |
C6H6 |
Fulvene |
117.00 |
|
aHCH |
CH2PH |
Phosphaethene |
117.20 |
|
aHCH |
CH2O2 |
Dioxirane |
117.32 |
|
aHCH |
C2H4 |
Ethylene |
117.60 |
|
aHCH |
H2CSe |
Selenoformaldehyde |
117.93 |
|
aHCH |
C3H6O2 |
1,3-Dioxolane |
118.00 |
|
aHCH |
CH2CHCHO |
Acrolein |
118.00 |
|
aHCH |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
118.00 |
!assumed |
aHCH |
CH2CCH2 |
allene |
118.20 |
|
aHCH |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
118.50 |
|
aHCH |
CH2CHCH2F |
Allyl Fluoride |
119.30 |
|
aHCH |
CH2CHCH2F |
Allyl Fluoride |
119.97 |
|
aHCH |
CH3 |
Methyl radical |
120.00 |
|
aHCH |
CH2CHCHO |
Acrolein |
120.00 |
|
aHCH |
CH2CCl2 |
Ethene, 1,1-dichloro- |
120.00 |
|
aHCH |
CH2CHF |
Ethene, fluoro- |
120.10 |
from symmetry |
aHCH |
CH2CS |
Thioketene |
120.30 |
|
aHCH |
CH2CF2 |
Ethene, 1,1-difluoro- |
122.00 |
|
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
| 110.68 |
±4.46 |
Min |
98.95 |
Max |
135.50 |