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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH2ClCCCl | 1,3-dichloropropyne | 0.003 |
Most positive difference | CFCl | chlorofluoromethylene | 0.147 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH2ClCCCl | 1,3-dichloropropyne | 1.638 | 0.003 |
CH2Cl | chloromethyl radical | 1.691 | 0.029 |
CH2ClI | chloroiodomethane | 1.774 | 0.030 |
C6H4Cl2 | 1,4-dichlorobenzene | 1.729 | 0.031 |
CH2CClCHCH2 | 1,3-Butadiene, 2-chloro- | 1.742 | 0.037 |
CH3Cl | Methyl chloride | 1.785 | 0.043 |
CCl4 | Carbon tetrachloride | 1.767 | 0.043 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 1.799 | 0.045 |
CHCl3 | Chloroform | 1.762 | 0.045 |
CH2Cl2 | Methylene chloride | 1.767 | 0.045 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.704 | 0.048 |
CF3Cl | Methane, chlorotrifluoro- | 1.752 | 0.049 |
ClCOClCO | Oxalyl chloride | 1.744 | 0.053 |
CH2BrCl | Methane, bromochloro- | 1.755 | 0.057 |
CF2Cl2 | difluorodichloromethane | 1.744 | 0.064 |
CH3CHClCH3 | Propane, 2-chloro- | 1.798 | 0.064 |
CHFClBr | fluorochlorobromomethane | 1.745 | 0.073 |
CH2ClCCCl | 1,3-dichloropropyne | 1.779 | 0.086 |
CFCl | chlorofluoromethylene | 1.714 | 0.147 |