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Listing of experimental geometry data for CH2ClCHCl2 (1,1,2-trichloroethane)

No experimental rotational constants available.
Calculated rotational constants for CH2ClCHCl2 (1,1,2-trichloroethane).

Point Group C1

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCC 1.580 1 2 1974Hui/Mul:23 !assumed
rCCl 1.776 1 3 1974Hui/Mul:23
aCCCl 106.4 1 2 6 1974Hui/Mul:23
aCCCl 107.9 2 1 3 1974Hui/Mul:23
aHCC 101 1 2 8 1974Hui/Mul:23
dClCCCl 75 3 1 2 6 1974Hui/Mul:23
picture of 1,1,2-trichloroethane

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-C 1
C-Cl 3
H-C 3
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH2ClCHCl2 (1,1,2-trichloroethane).
References
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squib reference DOI
1974Hui/Mul:23 P Huisman, FC Mijlhoff "An Electron Diffraction Study of the Structure of 1,1,2-Trichloroethane in the gas phase" J. Molecular Structure, 21 (1974) 23-27 10.1016/0022-2860(74)80026-8

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