Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3COCl | Acetyl Chloride | -0.014 |
Most positive difference | C2Cl2 | dichloroacetylene | 0.027 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3COCl | Acetyl Chloride | 1.798 | -0.014 |
CCl2 | dichloromethylene | 1.711 | -0.010 |
CFCl3 | Trichloromonofluoromethane | 1.764 | -0.007 |
C2Cl4 | Tetrachloroethylene | 1.718 | -0.006 |
CCl4 | Carbon tetrachloride | 1.767 | -0.006 |
CCl2O | Phosgene | 1.737 | -0.004 |
CH3Cl | Methyl chloride | 1.785 | -0.004 |
CHCl3 | Chloroform | 1.762 | -0.003 |
CHClCCl2 | Trichloroethylene | 1.712 | -0.003 |
CF3Cl | Methane, chlorotrifluoro- | 1.752 | -0.003 |
CH2Cl2 | Methylene chloride | 1.767 | -0.002 |
CHClCCl2 | Trichloroethylene | 1.714 | -0.002 |
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1.717 | -0.001 |
CHClCCl2 | Trichloroethylene | 1.720 | 0.001 |
ClCN | chlorocyanogen | 1.629 | 0.002 |
CH2ClCHCl2 | 1,1,2-trichloroethane | 1.776 | 0.003 |
C2H3Cl | Ethene, chloro- | 1.726 | 0.006 |
CHClCHCl | Ethene, 1,2-dichloro-, (E)- | 1.718 | 0.007 |
CH3CCl3 | Ethane, 1,1,1-trichloro- | 1.767 | 0.007 |
CH2FCl | fluorochloromethane | 1.762 | 0.007 |
CF2Cl2 | difluorodichloromethane | 1.744 | 0.009 |
CCl | carbon monochloride | 1.649 | 0.011 |
CH2CCl2 | Ethene, 1,1-dichloro- | 1.710 | 0.012 |
CHF2Cl | difluorochloromethane | 1.747 | 0.013 |
C2Cl2 | dichloroacetylene | 1.612 | 0.027 |