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Geometry for CH2ClCHCl2 (1,1,2-trichloroethane) 1A C1

1910171554
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 INChIKey=UBOXGVDOUJQMTN-UHFFFAOYSA-N

CCD/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6562 -0.8484 0.4300   -0.6652 -0.8385 0.4355
C2 -0.3989 -0.0966 -0.3651   0.3997 -0.1036 -0.3623
Cl3 2.3886 -0.3281 -0.0988   -2.3908 -0.3092 -0.1062
H4 0.5775 -0.6510 1.5032   -0.5895 -0.6311 1.5070
H5 0.5913 -1.9219 0.2254   -0.6084 -1.9146 0.2418
Cl6 -2.0687 -0.8949 -0.0202   2.0612 -0.9122 -0.0021
Cl7 -0.4647 1.7167 0.0793   0.4787 1.7134 0.0643
H8 -0.2506 -0.1495 -1.4443   0.2557 -0.1660 -1.4416
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5201 1.8845 1.0940 1.0948 2.7622 2.8211 2.1963
C2 1.5201 2.8097 2.1798 2.1589 1.8826 1.8681 1.0906
Cl3 1.8845 2.8097 2.4394 2.4239 4.4938 3.5149 2.9678
H4 1.0940 2.1798 2.4394 1.8023 3.0631 2.9529 3.1024
H5 1.0948 2.1589 2.4239 1.8023 2.8619 3.7915 2.5764
Cl6 2.7622 1.8826 4.4938 3.0631 2.8619 3.0664 2.4267
Cl7 2.8211 1.8681 3.5149 2.9529 3.7915 3.0664 2.4186
H8 2.1963 1.0906 2.9678 3.1024 2.5764 2.4267 2.4186
Maximum atom distance is 4.4938Å between atoms Cl3 and Cl6.
picture of 1,1,2-trichloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 108.067 C1 C2 Cl7 112.335
C2 C1 Cl3 110.779 Cl6 C2 Cl7 109.677
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.533 C2 C1 H4 111.962
C2 C1 H5 110.244 Cl3 C1 H4 106.953
Cl3 C1 H5 105.825 H4 C1 H5 110.856
Cl6 C2 H8 106.339 Cl7 C2 H8 106.694

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.