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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 0.6704 -0.8220 0.4034   -0.6787 -0.8127 0.4085
C2 -0.4204 -0.0773 -0.3501   0.4213 -0.0840 -0.3474
Cl3 2.2974 -0.3045 -0.0959   -2.2993 -0.2872 -0.1032
H4 0.5520 -0.6541 1.4753   -0.5637 -0.6352 1.4791
H5 0.5693 -1.8898 0.2012   -0.5852 -1.8832 0.2171
Cl6 -1.9827 -0.8638 -0.0173   1.9758 -0.8796 0.0000
Cl7 -0.4548 1.6437 0.0794   0.4675 1.6408 0.0654
H8 -0.2411 -0.1431 -1.4229   0.2461 -0.1590 -1.4204
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5206 1.7789 1.0913 1.0915 2.6865 2.7296 2.1511
C2 1.5206 2.7391 2.1471 2.1375 1.7805 1.7741 1.0897
Cl3 1.7789 2.7391 2.3743 2.3638 4.3172 3.3765 2.8690
H4 1.0913 2.1471 2.3743 1.7750 2.9489 2.8709 3.0479
H5 1.0915 2.1375 2.3638 1.7750 2.7592 3.6810 2.5190
Cl6 2.6865 1.7805 4.3172 2.9489 2.7592 2.9379 2.3513
Cl7 2.7296 1.7741 3.3765 2.8709 3.6810 2.9379 2.3443
H8 2.1511 1.0897 2.8690 3.0479 2.5190 2.3513 2.3443
Maximum atom distance is 4.3172Å 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 108.690 C1 C2 Cl7 111.655
C2 C1 Cl3 111.996 Cl6 C2 Cl7 111.486
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.890 C2 C1 H4 109.483
C2 C1 H5 108.716 Cl3 C1 H4 109.278
Cl3 C1 H5 108.497 H4 C1 H5 108.811
Cl6 C2 H8 107.563 Cl7 C2 H8 107.467

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