Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
CH2ClCHO | chloroacetaldehyde |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rHC | 1.093 | 1983Dyn/Sch:45 | 1 | 5 | |||
rCO | 1.206 | 1983Dyn/Sch:45 | 2 | 4 | |||
rCCl | 1.782 | 1983Dyn/Sch:45 | 1 | 3 | |||
rCC | 1.521 | 1983Dyn/Sch:45 | 1 | 2 | |||
aCCO | 123.3 | 1983Dyn/Sch:45 | 1 | 2 | 4 | ||
aCCH | 112.4 | 1983Dyn/Sch:45 | 1 | 2 | 7 | ||
aCCCl | 110.4 | 2 | 1 | 3 | |||
aCCH | 110.3 | 1983Dyn/Sch:45 | 2 | 1 | 5 | ||
aHCH | 109.5 | 1983Dyn/Sch:45 | !assumed | 5 | 1 | 6 | |
dOCCCl | 180.0 | 1983Dyn/Sch:45 | !assumed | 3 | 1 | 2 | 4 |
squib | reference |
---|---|
1983Dyn/Sch:45 | S Dyngeseth, H Schei, K Hagen "Molecular Structure and Conformation of chloroacetaldehyde as determined by gas-phase electron diffraction" J. Mol. Struct. 102 (1983) 45-54 |