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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

B3PW91/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6638 -0.8377 0.3902   -0.6718 -0.8287 0.3956
C2 -0.4150 -0.0753 -0.3605   0.4159 -0.0821 -0.3580
Cl3 2.3013 -0.3043 -0.0900   -2.3032 -0.2875 -0.0967
H4 0.5563 -0.6951 1.4662   -0.5677 -0.6764 1.4706
H5 0.5820 -1.8987 0.1488   -0.5972 -1.8926 0.1650
Cl6 -1.9884 -0.8636 -0.0120   1.9817 -0.8788 0.0048
Cl7 -0.4520 1.6500 0.0812   0.4643 1.6472 0.0669
H8 -0.2670 -0.1250 -1.4388   0.2720 -0.1412 -1.4364
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5194 1.7879 1.0908 1.0912 2.6827 2.7440 2.1724
C2 1.5194 2.7394 2.1598 2.1397 1.7939 1.7814 1.0896
Cl3 1.7879 2.7394 2.3706 2.3570 4.3268 3.3808 2.9065
H4 1.0908 2.1598 2.3706 1.7846 2.9477 2.9043 3.0728
H5 1.0912 2.1397 2.3570 1.7846 2.7757 3.6969 2.5273
Cl6 2.6827 1.7939 4.3268 2.9477 2.7757 2.9474 2.3547
Cl7 2.7440 1.7814 3.3808 2.9043 3.6969 2.9474 2.3442
H8 2.1724 1.0896 2.9065 3.0728 2.5273 2.3547 2.3442
Maximum atom distance is 4.3268Å 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 107.837 C1 C2 Cl7 112.223
C2 C1 Cl3 111.588 Cl6 C2 Cl7 111.052
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.690 C2 C1 H4 110.597
C2 C1 H5 108.989 Cl3 C1 H4 108.434
Cl3 C1 H5 107.419 H4 C1 H5 109.751
Cl6 C2 H8 106.941 Cl7 C2 H8 106.998

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