Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CFCl | chlorofluoromethylene | -0.037 |
Most positive difference | FCN | Cyanogen fluoride | -0.005 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CFCl | chlorofluoromethylene | 1.320 | -0.037 |
C3F6 | hexafluoropropene | 1.329 | -0.031 |
CF2Cl2 | difluorodichloromethane | 1.345 | -0.028 |
C2H5F | fluoroethane | 1.398 | -0.026 |
CH2BrF | Methane, bromofluoro- | 1.375 | -0.026 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | -0.025 |
CH2FCl | fluorochloromethane | 1.370 | -0.024 |
C2H4F2 | 1,2-difluoroethane | 1.390 | -0.022 |
CHFClBr | fluorochlorobromomethane | 1.356 | -0.020 |
CH2CHF | Ethene, fluoro- | 1.347 | -0.016 |
CF2CCl2 | difluorodichloroethylene | 1.315 | -0.016 |
CH3CHF2 | Ethane, 1,1-difluoro- | 1.364 | -0.015 |
CH2CF2 | Ethene, 1,1-difluoro- | 1.315 | -0.014 |
CH2CHCH2F | Allyl Fluoride | 1.382 | -0.013 |
CF2O | Carbonic difluoride | 1.312 | -0.013 |
CF3Cl | Methane, chlorotrifluoro- | 1.325 | -0.013 |
CF3Br | Bromotrifluoromethane | 1.327 | -0.011 |
HCCF | Fluoroacetylene | 1.279 | -0.010 |
CF | Fluoromethylidyne | 1.276 | -0.009 |
CH2F2 | Methane, difluoro- | 1.351 | -0.008 |
HFCO | formyl fluoride | 1.338 | -0.007 |
CH3COF | Acetyl fluoride | 1.348 | -0.006 |
CHF3 | Methane, trifluoro- | 1.328 | -0.006 |
CF2 | Difluoromethylene | 1.297 | -0.005 |
FCN | Cyanogen fluoride | 1.262 | -0.005 |